Jens Kehlet Nørskov

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  1. 2012
  2. Published

    A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction. / Skulason, Egill; Bligaard, Thomas; Gudmundsdottir, Sigrıdur; Studt, Felix; Rossmeisl, Jan; Abild-Pedersen, Frank; Vegge, Tejs; Jonsson, Hannes; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 3, 2012, p. 1235-1245.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  3. Published

    Inclusion of Dispersion Effects in Density Functional Theory : Development and Application. / Møgelhøj, Andreas; Jacobsen, Karsten Wedel (Main supervisor); Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2012. 207 p.

    Publication: Research › Ph.d. thesis – Annual report year: 2012

  4. Published

    Ni-Ga intermetallic compounds as novel catalysts for CO2 hydrogenation to methanol. / Sharafutdinov, Irek; Elkjær, Christian Fink; Damsgaard, Christian Danvad; Gardini, Diego; Studt, Felix; Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Dahl, Søren.

    2012. Poster session presented at 15th Nordic Symposium on Catalysis, Mariehamn, Åland Islands.

    Publication: Research - peer-review › Poster – Annual report year: 2012

  5. Published

    Photoelectrocatalysis and electrocatalysis on silicon electrodes decorated with cubane-like clusters. / Hou, Yidong; Abrams, Billie L.; Vesborg, Peter Christian Kjærgaard; Björketun, Mårten; Herbst, Konrad; Bech, Lone; Seger, Brian; Pedersen, Thomas; Hansen, Ole; Rossmeisl, Jan; Dahl, Søren; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Journal of Photonics for Energy, Vol. 2, 2012.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  6. Published

    Search Directions for Direct H2O2 Synthesis Catalysts Starting from Au-12 Nanoclusters. / Grabow, Lars; Larsen, Britt Hvolbæk; Falsig, Hanne; Nørskov, Jens Kehlet.

    In: Topics in Catalysis, Vol. 55, No. 5-6, 2012, p. 336-344.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  7. 2011
  8. Published

    Accurate treatment of nanoelectronics through improved description of van der Waals Interactions. / Kelkkanen, Kari André; Jacobsen, Karsten Wedel (Supervisor); Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2011.

    Publication: Research › Ph.d. thesis – Annual report year: 2011

  9. Published

    Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like.. / Møgelhøj, Andreas; Kelkkanen, Kari André; Wikfeldt, K Thor; Schiøtz, Jakob; Mortensen, Jens Jørgen; Pettersson, Lars G M; Lundqvist, Bengt; Jacobsen, Karsten Wedel; Nilsson, Anders; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 115, No. 48, 2011, p. 14149-14160.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  10. Published

    Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction of Pt. / Tritsaris, Georgios; Greeley, Jeffrey Philip; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Catalysis Letters, Vol. 141, No. 7, 2011, p. 909-913.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  11. Published

    Bio-inspired co-catalysts bonded to a silicon photocathode for solar hydrogen evolution. / Hou, Yidong (Invited author); Abrams, Billie (Invited author); Vesborg, Peter Christian Kjærgaard (Invited author); Björketun, Mårten (Invited author); Herbst, Korad (Invited author); Bech, Lone (Invited author); Seger, Brian (Invited author); Pedersen, Thomas (Invited author); Hansen, Ole (Invited author); Rossmeisl, Jan (Invited author); Dahl, Søren (Invited author); Nørskov, Jens Kehlet (Invited author); Chorkendorff, Ib (Invited author).

    In: Proceedings of SPIE. ed. / Yasuhiro Tachibana. Vol. 8109 SPIE - International Society for Optical Engineering, 2011.

    Publication: Research - peer-review › Article in proceedings – Annual report year: 2011

  12. Published

    Density functional theory in surface chemistry and catalysis. / Nørskov, Jens Kehlet; Abild-Pedersen, Frank; Studt, Felix; Bligaard, Thomas.

    In: National Academy of Sciences. Proceedings, Vol. 108, No. 3, 2011, p. 937-943.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  13. Published

    Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries. / Viswanathan, V.; Thygesen, Kristian Sommer; Hummelshøj, J.S.; Nørskov, Jens Kehlet; Girishkumar, G.; McCloskey, B.D.; Luntz, A.C.; Luntz, A.C.

    In: Journal of Chemical Physics, Vol. 135, No. 21, 2011, p. 214704.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  14. Published

    Finite Size Effects in Chemical Bonding: From Small Clusters to Solids. / Kleis, Jesper; Greeley, Jeffrey Philip; Romero, N. A.; Morozov, V. A.; Falsig, Hanne; Larsen, Ask Hjorth; Lu, Jianmin; Mortensen, Jens Jørgen; Dułak, M.; Thygesen, Kristian Sommer; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel.

    In: Catalysis Letters, Vol. 141, No. 8, 2011, p. 1067-1071.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  15. Published

    First-principles investigations of Ni3Al(111) and NiAl(110) surfaces at metal dusting conditions. / Saadi, Souheil; Hinnemann, Berit; Appel, Charlotte C.; Helveg, Stig; Abild-Pedersen, Frank; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 605, No. 5-6, 2011, p. 582-592.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  16. Published

    Platinum and Palladium Alloys Suitable as Fuel Cell Electrodes. / Nørskov, Jens Kehlet (Inventor); Greeley, Jeffrey Philip (Inventor); Stephens, Ifan (Inventor); Bondarenko, Alexander (Inventor); Johansson, Tobias Peter (Inventor); Hansen, Heine Anton (Inventor); Jaramillo, Thomas (Inventor); Rossmeisl, Jan (Inventor); Chorkendorff, Ib (Inventor).

    Patent No.: WO 2011006511. Jan 20, 2011.

    Publication: Research › Patent – Annual report year: 2011

  17. Published

    Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces. / Jones, Glenn; Studt, Felix; Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Bligaard, Thomas.

    In: Chemical Engineering Science, Vol. 66, No. 24, 2011, p. 6318-6323.

    Publication: Research - peer-review › Conference article – Annual report year: 2011

  18. Published

    Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution. / Garcia-Mota, Monica; Vojvodic, Aleksandra; Metiu, Horia; Man, Isabela Costinela; Su, Hai-Yan; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: ChemCatChem, Vol. 3, No. 10, 2011, p. 1607-1611.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  19. Published

    The Pt(111)/Electrolyte Interface under Oxygen Reduction Reaction Conditions : An elctrochemical Impedance Spectroscopy Study. / Bondarenko, A.S.; Stephens, Ifan; Hansen, Heine Anton; Perez-Alonso, F.J.; Tripkovic, Vladimir; Johansson, Tobias Peter; Rossmeisl, Jan; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Langmuir, Vol. 27, No. 5, 2011, p. 2058.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  20. Published

    The role of transition metal interfaces on the electronic transport in lithium–air batteries. / Chen, Jingzhe; Hummelshøj, Jens S.; Thygesen, Kristian Sommer; Mýrdal, Jón Steinar Garðarsson; Nørskov, Jens Kehlet; Vegge, Tejs.

    In: Catalysis Today, Vol. 165, No. 1, 2011, p. 2-9.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  21. Published

    Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces. / Mowbray, Duncan; Martinez, Jose Ignacio; Vallejo, Federico Calle; Rossmeisl, Jan; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 115, No. 5, 2011, p. 2244.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  22. Published

    Trends in oxygen reduction and methanol activation on transition metal chalcogenides. / Tritsaris, Georgios; Nørskov, Jens Kehlet; Rossmeisl, Jan.

    In: Electrochimica Acta, Vol. 56, No. 27, 2011, p. 9783-9788.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  23. Published

    Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions. / Wang, Shengguang; Temel, Burcin; Shen, Juan; Jones, Glenn; Grabow, Lars; Studt, Felix; Bligaard, Thomas; Abild-Pedersen, Frank; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Catalysis Letters, Vol. 141, No. 3, 2011, p. 370-373.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  24. Published

    Universal transition state scaling relations for (de)hydrogenation over transition metals. / Wang, Shengguang; Petzold, Vivien Gabriele; Tripkovic, Vladimir; Kleis, Jesper; Howalt, Jakob Geelmuyden; Skulason, Egill; Fernández, E. M.; Larsen, Britt Hvolbæk; Jones, Glenn; Toftelund, Anja; Falsig, Hanne; Björketun, Mårten; Studt, Felix; Abild-Pedersen, Frank; Rossmeisl, Jan; Nørskov, Jens Kehlet; Bligaard, Thomas.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 46, 2011, p. 20760-20765.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  25. Published

    Van der Waals effect in weak adsorption affecting trends in adsorption, reactivity, and the view of substrate nobility. / Kelkkanen, Kari André; Lundqvist, Bengt; Nørskov, Jens Kehlet.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 83, No. 11, 2011, p. -.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  26. 2010
  27. Published

    Electro-catalytic reactions at charged solid/liquid interface - a DFT study. / Tripkovic, Vladimir; Nørskov, Jens Kehlet (Supervisor); Rossmeisl, Jan (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2010. 237 p.

    Publication: Research › Ph.d. thesis – Annual report year: 2011

  28. Published

    Understanding Catalytic Activity Trends for NO Decomposition and CO Oxidation using Density Functional Theory and Microkinetic Modeling. / Falsig, Hanne; Fehrmann, Rasmus (Supervisor); Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2010. 129 p.

    Publication: Research › Ph.d. thesis – Annual report year: 2010

  29. Published

    Density Functional Theory Studies of Graphene Growth and Metal Dusting. / Saadi, Souheil; Appel, Charlotte Clausen (Supervisor); Nørskov, Jens Kehlet (Supervisor); Hinnemann, Berit (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2010.

    Publication: Research › Ph.d. thesis – Annual report year: 2010

  30. Published

    Ammonia dynamics in magnesium ammine from DFT and neutron scattering. / Tekin, Adem; Hummelshøj, Jens Strabo; Jacobsen, Hjalte Sylvest; Sveinbjörnsson, Dadi Þorsteinn; Blanchard, Didier; Nørskov, Jens Kehlet; Vegge, Tejs.

    In: Energy & Environmental Science, Vol. 3, No. 4, 2010, p. 448-456.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  31. Published

    Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery. / Hummelshøj, Jens Strabo; Blomquist, Jakob; Datta, Soumendu; Vegge, Tejs; Rossmeisl, Jan; Thygesen, Kristian Sommer; Luntz, A. C.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 132, No. 7, 2010, p. 071101.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  32. Published

    CO oxidation on PdO surfaces. / Hirvi, Janne T.; Kinnunen, Toni-Jani J.; Suvanto, Mika; Pakkanen, Tapani A.; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 133, 2010, p. 084704.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  33. Published

    Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. / Enkovaara, J.; Rostgaard, Carsten; Mortensen, Jens Jørgen; Chen, Jingzhe; Dulak, M.; Ferrighi, L.; Gavnholt, J.; Glinsvad, Christian; Haikola, V.; Hansen, H.A.; Kristoffersen, H.H.; Kuisma, M.; Larsen, A.H.; Lehtovaara, L.; Ljungberg, M.; Lopez-Acevedo, O.; Moses, Poul Georg; Ojanen, J.; Olsen, T.; Petzold, Vivien Gabriele; Romero, N.A.; Stausholm-Moller, J.; Strange, Mikkel; Tritsaris, Georgios; Vanin, Marco; Walter, M.; Hammer, B.; Hakkinen, H.; Madsen, G.K.H.; Nieminen, R.M.; Nørskov, Jens Kehlet; Puska, M.; Rantala, T.T.; Schiotz, J.; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: Journal of Physics: Condensed Matter, Vol. 22, No. 25, 2010.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  34. Published

    Enzymatic versus Inorganic Oxygen Reduction Catalysts: Comparison of the Energy Levels in a Free-Energy Scheme. / Kjærgaard, Christian Hauge; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Inorganic Chemistry, Vol. 49, No. 8, 2010, p. 3567-3572.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  35. Published

    Green Gold Catalysis. / Christensen, C. H.; Nørskov, Jens Kehlet.

    In: Science, Vol. 327, No. 5963, 2010, p. 278-279.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  36. Published

    How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels. / Peterson, Andrew; Abild-Pedersen, Frank; Studt, Felix; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Energy & Environmental Science, Vol. 3, No. 9, 2010, p. 1311-1315.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  37. Published

    Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations. / Skulason, Egill; Tripkovic, Vladimir; Björketun, Mårten; Gudmundsdottir, Sigridur; Karlberg, Gustav; Rossmeisl, Jan; Bligaard, Thomas; Jonsson, Hannes; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 114, No. 42, 2010, p. 18182-18197.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  38. Published

    On the Role of Metal Step-Edges in Graphene Growth. / Saadi, Souheil; Abild-Pedersen, Frank; Helveg, S.; Sehested, J.; Hinnemann, Berit; Appel, C.C.; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 114, No. 25, 2010, p. 11221-11227.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  39. Published

    Self Blocking of CO Dissociation on a Stepped Ruthenium Surface. / Vendelbo, Søren Bastholm; Johansson, Martin; Mowbray, Duncan; Andersson, M. P.; Abild-Pedersen, Frank; Nielsen, Jane Hvolbæk; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Topics in Catalysis, Vol. 53, No. 5-6, 2010, p. 357-364.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  40. Published

    The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations. / Tripkovic, Vladimir; Skulason, Egill; Siahrostami, Samira; Nørskov, Jens Kehlet; Rossmeisl, Jan.

    In: Electrochimica Acta, Vol. 55, No. 27, 2010, p. 7975-7981.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  41. Published

    Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals. / Grabow, Lars; Larsen, Britt Hvolbæk; Nørskov, Jens Kehlet.

    In: Topics in Catalysis, Vol. 53, No. 5-6, 2010, p. 298-310.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  42. 2009
  43. Published

    Density Functional Theory Studies of Electrochemical Processes. / Hansen, Heine Anton; Nørskov, Jens Kehlet (Supervisor); Rossmeisl, Jan.

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2009.

    Publication: Research › Ph.d. thesis – Annual report year: 2009

  44. Published

    Electro-catalytic Reactions using Density Functional Theory Calculations. / Skulason, Egill; Jonsson, Hannes (Supervisor); Nørskov, Jens Kehlet (Supervisor); Bligaard, Thomas (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2009.

    Publication: Research › Ph.d. thesis – Annual report year: 2009

  45. Published

    Computational investigation and design of coordination compounds for hydrogen storage. / Hummelshøj, Jens Strabo; Vegge, Tejs (Supervisor); Nørskov, Jens Kehlet (Supervisor).

    Roskilde, Denmark : Technical University of Denmark (DTU), 2009. 153 p.

    Publication: Research › Ph.d. thesis – Annual report year: 2009

  46. Published

    A CATALYST, A PROCESS FOR SELECTIVE HYDROGENATION OF ACETYLENE TO ETHYLENE AND A METHOD FOR THE MANUFACTURE OF THE CATALYST. / Studt, Felix (Inventor); Abild-Pedersen, Frank (Inventor); Bligaard, Thomas (Inventor); Sørensen, Rasmus Zink (Inventor); Christensen, Claus Hviid (Inventor); Nørskov, Jens Kehlet (Inventor).

    Patent No.: WO2009086839. Jul 16, 2009.

    Publication: Research › Patent – Annual report year: 2009

  47. Published

    Alloys of platinum and early transition metals as oxygen reduction electrocatalysts. / Greeley, J.; Stephens, Ifan; Bandarenka, Aliaksandr; Johansson, Tobias Peter; Hansen, Heine Anton; Jaramillo, T.F.; Rossmeisl, Jan; Chorkendorff, Ib; Nørskov, Jens Kehlet.

    In: Nature Chemistry, Vol. 1, No. 7, 2009, p. 552-556.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  48. Published

    Ammonia synthesis and decomposition on a Ru-based catalyst modeled by first-principles. / Hellman, A.; Honkala, Johanna Karoliina; Remediakis, Ioannis; Logadottir, Ashildur; Carlsson, A.; Dahl, S.; Christensen, Christina Hviid; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 603, No. 10-12, 2009, p. 1731-1739.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  49. Published

    Catalysis: Bond control in surface reactions.. / Nørskov, Jens Kehlet; Abild-Pedersen, Frank.

    In: Nature, Vol. 461, No. 7268, 2009, p. 1223-1225.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  50. Published

    Combinatorial Density Functional Theory-Based Screening of Surface Alloys for the Oxygen Reduction Reaction. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry C, Vol. 113, No. 12, 2009, p. 4932-4939.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  51. Published

    Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers. / Kelkkanen, Kari André; Lundqvist, Bengt; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 131, No. 4, 2009, p. 046102.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  52. Published

    Density functional study of the adsorption and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS2. / Moses, Poul Georg; Mortensen, Jens Jørgen; Lundqvist, Bengt; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 130, No. 10, 2009, p. 104709.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  53. Published

    Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project. / Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes; Jiang, Tao; Tekin, Adem; Bork, Nicolai Christian; Dulak, Marcin; Mortensen, Jens Jørgen; Adamska, L.; Andersin, J.; Baran, J.D.; Barmparis, G.D.; Bell, F.; Benzanilla, A.L.; Bjork, J,; Björketun, Mårten; Bleken, F.; Buchter, F.; Bürkle, M.; Burton, P.D.; Buus, Bjarke Brink; Calborean, A.; Casolo, S.; Chandler, B.; Chi, D.H.; Czekaj, I.; Datta, S.; Datye, A.; DeLaRiva, A.; Despoja, V.; Dobrin, Sergey; Engelund, Mads; Ferrighi, L; Frondelius, P.; Fu, Q.; Fuentes, A.; Fürst, Joachim Alexander; Garcia-Fuente, A.; Gavnholt, Jeppe; Goeke, R.; Gudmundsdottir, S.; Hammond, K.D.; Hansen, Heine Anton; Hibbitts, D.; Howalt, Jakob Geelmuyden; Hruby, S. L.; Huth, A.; Isaeva, L.; Jelic, J.; Jensen, I.J.T.; Junior, E.H.; Kacprzak, K.A.; Kelkkanen, Kari André; Kelsey, D.; Kesanakurthi, D.S.; Kleis, Jesper; Klüpfel, P.J.; Konstantinov, I.; Korytar, R.; Koskinen, P.; Ande, C.K.; Kunkes, E.; Larsen, Ask Hjorth; Lastra, J.M.G.; Lin, H.; Lopez-Acevedo, O.; Mantega, M.; Martinez, Jose Ignacio; Mesa, I.N.; Mowbray, Duncan; Mýrdal, J.S.G.; Natanzon, Y.; Nistor, A.; Olsen, Thomas; Park, H.; Pedroza, L.S.; Petzold, Vivien Gabriele; Plaisance, C.; Rasmussen, J.A.; Ren, H.; Rizzi, M.; Ronco, A.S.; Rostgaard, Carsten; Saadi, Souheil; Salguero, L.A.; Santos, E.J.G.; Schoenhalz, A.L.; Shen, Juan; Smedemand, M.; Stausholm-Møller, O.J.; Jensen, Mogens O Stibius; Strange, Mikkel; Su, H.B.; Temel, B.; Toftelund, Anja; Tripkovic, Vladimir; Calle Vallejo, Federico; Vanin, Marco; Viswanathan, V.; Vojvodic, Aleksandra; Wang, Shengguang; Pedersen, Jess Wellendorff; Thygesen, Kristian Sommer; Rossmeisl, Jan; Bligaard, Thomas; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Vegge, Tejs.

    In: Journal of Chemical Physics, Vol. 131, No. 1, 2009, p. 014101.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  54. Published

    Experimental and computational studies on structural transitions in the LiBH4-LiI pseudobinary system. / Oguchi, H.; Matsuo, M.; Hummelshøj, Jens Strabo; Vegge, Tejs; Nørskov, Jens Kehlet; Sato, T.; Miura, Y.; Takamura, H.; Maekawa, H.; Orimo, S.

    In: Applied Physics Letters, Vol. 94, No. 14, 2009, p. 141912.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  55. Published

    First-Principles Based Kinetic Analysis of the Electrochemical Discharge of Water on Pt3M Skin Alloys. / Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan; Jaramillo, Thomas F.; Nørskov, Jens Kehlet; Pitsch, Heinz.

    In: Meeting Abstracts - Electrochemical Society. Electrochemical Society, Incorporated, 2009. p. Abstract 964.

    Publication: Research - peer-review › Conference abstract in proceedings – Annual report year: 2009

  56. Published

    First-principles investigations of the Ni3Sn alloy at steam reforming conditions. / Saadi, Souheil; Hinnemann, Berit; Helveg, Stig; Appel, Charlotte C.; Abild-Pedersen, Frank; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 603, No. 5, 2009, p. 762-770.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  57. Published

    Formation energies of rutile metal dioxides using density functional theory. / Martinez, Jose Ignacio; Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 79, No. 4, 2009, p. 045120.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  58. Published

    Magnetic edge states in MoS2 characterized using density-functional theory. / Vojvodic, Aleksandra; Hinnemann, B.; Nørskov, Jens Kehlet.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 80, No. 12, 2009, p. 125416.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  59. Published

    Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Bronsted-Evans-Polanyi Relations. / Ferrin, P.; Simonetti, D.; Kandoi, S.; Kunkes, E.; Dumesic, J.A.; Nørskov, Jens Kehlet; Mavrikakis, M.

    In: Journal of the American Chemical Society, Vol. 131, No. 16, 2009, p. 5809-5815.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  60. Published

    Rate Control and Reaction Engineering. / Nørskov, Jens Kehlet; Bligaard, Thomas; Kleis, Jesper.

    In: Science, Vol. 324, No. 5935, 2009, p. 1655-1656.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  61. Published

    Step Effects on the Dissociation of NO on Close-Packed Rhodium Surfaces. / Rempel, J.; Greeley, Jeff; Hansen, Lars Bruno; Nielsen, Ole Holm; Nørskov, Jens Kehlet; Mavrikakis, Manos.

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 113, No. 48, 2009, p. 20623-20631.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  62. Published

    The effect of Co-promotion on MoS2 catalysts for hydrodesulfurization of thiophene: A density functional study. / Moses, Poul Georg; Hinnemann, Berit; Topsøe, Henrik; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 268, No. 2, 2009, p. 201-208.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  63. Published

    Towards the computational design of solid catalysts. / Nørskov, Jens Kehlet; Bligaard, Thomas; Rossmeisl, Jan; Christensen, Claus Hviid.

    In: Nature Chemistry, Vol. 1, No. 1, 2009, p. 37-46.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  64. Published

    Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces. / Jiang, Tao; Mowbray, Duncan; Dobrin, Sergey; Falsig, H.; Larsen, Britt Hvolbæk; Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 113, No. 24, 2009, p. 10548-10553.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  65. 2008
  66. Published

    Transition metal sulfide catalysts : - A DFT study of structure and reactivity. / Moses, Poul Georg; Nørskov, Jens Kehlet (Supervisor).

    2008.

    Publication: Research › Ph.d. thesis – Annual report year: 2008

  67. Published

    Towards Catalysis Informatics - Materials design using Density Functional Theory. / Fronczek-Munter, Ture Rønved; Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2008.

    Publication: Research › Ph.d. thesis – Annual report year: 2008

  68. Published

    Ammonia for hydrogen storage: challenges and opportunities. / Klerke, Asbjørn; Christensen, Claus H.; Nørskov, Jens Kehlet; Vegge, Tejs.

    In: Journal of Materials Chemistry, Vol. 18, No. 20, 2008, p. 2304-2310.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  69. Published

    A molecular view of heterogeneous catalysis. / Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 128, No. 18, 2008, p. 182503.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  70. Published

    BEP relations for N-2 dissociation over stepped transition metal and alloy surfaces. / Fronczek-Munter, Ture Rønved; Bligaard, Thomas; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 10, No. 34, 2008, p. 5202-5206.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  71. Published

    COLL 130-Trends in the stability of electrocatalytic alloys from first principles. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: Abstract of Papers of the American Chemical Society, Vol. 235, 2008, p. 130-COLL PG 1.

    Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2008

  72. Published

    Electrochemistry on the computer: Understanding how to tailor the metal overlayers for the oxygen reduction reaction (A perspective on the article, "Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces", by AU Nilekar and M. Mavrikakis). / Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 602, No. 14, 2008, p. 2337-2338.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  73. Published

    First principles calculations and experimental insight into methane steam reforming over transition metal catalysts. / Jones, Glenn; Jakobsen, Jon Geest; Shim, Signe Sarah; Kleis, Jesper; Andersson, Martin; Rossmeisl, Jan; Abild-Pedersen, Frank; Bligaard, Thomas; Helveg, Stig; Hinnemann, Berit; Rostrup-Nielsen, Jens R; Chorkendorff, Ib; Sehested, Jens; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 259, No. 1, 2008, p. 147-160.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  74. Published

    FUEL 192-The role of structures and reaction pathways in Co-Mo-S type nanocrystals used for the production of ultraclean transportation fuels. / Topsøe, H.; Hinnemann, Berit; Moses, Poul Georg; Lauritsen, J.; Kibsgaard, J.; Besenbacher, Flemming; Topsøe, N. Y.; Helveg, S.; Brorson, M.; Nørskov, Jens Kehlet; Knudsen, K. G.

    In: Abstract of Papers of the American Chemical Society, Vol. 235, 2008, p. 192-FUEL PG 1.

    Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2008

  75. Published

    Heterogeneous Catalysis. / Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Chemical bonding at surfaces and interfaces. ed. / L.G.M. Pettersson; Jens Kehlet Nørskov. Elsevier, 2008.

    Publication: Research - peer-review › Book chapter – Annual report year: 2008

  76. Published

    Hydrogen evolution on nano-particulate transition metal sulfides. / Bonde, Jacob Lindner; Moses, Poul Georg; Jaramillo, Thomas F.; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Faraday discussions (Online), Vol. 140, 2008, p. 219-231.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  77. Published

    Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene. / Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas; Sørensen, Rasmus Zink; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Science, Vol. 320, No. 5881, 2008, p. 1320-1322.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  78. Published

    Indirect hydrogen storage in metal ammines. / Vegge, Tejs; Sørensen, Rasmus Zink; Klerke, Asbjørn; Hummelshøj, Jens Strabo; Johannessen, T.; Nørskov, Jens Kehlet; Christensen, C.H.

    In: Solid state hydrogen storage: Materials and chemistry. ed. / G. Walker. British Welding Research Association, 2008. p. 533-568.

    Publication: Research - peer-review › Book chapter – Annual report year: 2008

  79. Published

    Indirect, reversible high-density hydrogen storage in compact metal ammine salts. / Sørensen, Rasmus Zink; Hummelshøj, Jens Strabo; Klerke, Asbjørn; Reves, Jacob Birke; Vegge, Tejs; Nørskov, Jens Kehlet; Christensen, Claus H.

    In: Journal of the American Chemical Society, Vol. 130, No. 27, 2008, p. 8660-8668.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  80. Published

    Modeling the electrified solid-liquid interface. / Rossmeisl, Jan; Skulason, Egill; Björketun, Mårten; Tripkovic, Vladimir; Nørskov, Jens Kehlet.

    In: Chemical Physics Letters, Vol. 466, No. 1-3, 2008, p. 68-71.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  81. Published

    On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene. / Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas; Sørensen, Rasmus Zink; Christensen, C.H.; Nørskov, Jens Kehlet.

    In: Angewandte Chemie - International Edition, Vol. 47, No. 48, 2008, p. 9299-9302.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  82. Published

    Oxidation and photo-oxidation of water on TiO2 surface. / Valdes, A.; Qu, Z.W.; Kroes, G.J.; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: The Journal of Physical Chemistry C, Vol. 112, No. 26, 2008, p. 9872-9879.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  83. Published

    Recent density functional studies of hydrodesulfurization catalysts: insight into structure and mechanism. / Hinnemann, Berit; Moses, Poul Georg; Nørskov, Jens Kehlet.

    In: Journal of Physics: Condensed Matter, Vol. 20, No. 6, 2008, p. 064236-064243.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  84. Published

    Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects. / Besenbacher, Flemming; Brorson, M.; Clausen, B.S.; Helveg, S.; Hinnemann, Berit; Kibsgaard, J.; Lauritsen, J.V.; Moses, Poul Georg; Nørskov, Jens Kehlet; Topsøe, H.

    In: Catalysis Today, Vol. 130, No. 1, 2008, p. 86-96.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  85. Published

    Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces. / Nørskov, Jens Kehlet; Fernandez Sanchez, Eva; Moses, Poul Georg; Toftelund, Anja; Hansen, Heine Anton; Martinez, Jose Ignacio; Abild-Pedersen, Frank; Kleis, Jesper; Hinnemann, Berit; Rossmeisl, Jan; Pedersen, Thomas Bligaard.

    In: Angewandte Chemie - International Edition, Vol. 47, No. 25, 2008, p. 4683-4686.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  86. Published

    Steady state oxygen reduction and cyclic voltammetry. / Rossmeisl, Jan; Karlberg, Gustav; Jaramillo, Thomas; Nørskov, Jens Kehlet.

    In: Faraday discussions (Online), Vol. 140, 2008, p. 337-346.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  87. Published

    Structure Sensitivity of the Methanation Reaction: H2 induced CO dissociation on nickel surfaces. / Andersson, Martin; Abild-Pedersen, Frank; Remediakis, Ioannis; Pedersen, Thomas Bligaard; Jones, Glenn; Engbæk, Jakob; Lytken, Ole; Horch, Sebastian; Nielsen, Jane Hvolbæk; Sehested, J.; Rostrup-Nielsen, J.R.; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Journal of Catalysis, Vol. 255, No. 1, 2008, p. 6-19.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  88. Published

    Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT. / Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 10, No. 25, 2008, p. 3722-3730.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  89. Published

    The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study (vol 248, pg 188, 2007). / Moses, Poul Georg; Hinnemann, Berit; Topsøe, Henrik; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 260, No. 1, 2008, p. 202-203.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  90. Published

    The nature of the active site in heterogeneous metal catalysis. / Nørskov, Jens Kehlet; Bligaard, Thomas; Larsen, Britt Hvolbæk; Abild-Pedersen, Frank; Chorkendorff, Ib; Christensen, Claus H.

    In: Chemical Society Reviews, Vol. 37, No. 10, 2008, p. 2163-2171.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  91. Published

    Trends in the catalytic CO oxidation activity of nanoparticles. / Nørskov, Jens Kehlet; Falsig, Hanne; Larsen, Britt Hvolbæk; Kristensen, Iben Sig; Jiang, Tao; Pedersen, Thomas Bligaard; Christensen, Claus H.

    In: Angewandte Chemie - International Edition, Vol. 47, No. 26, 2008, p. 4835-4839.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  92. Published

    Understanding Heterogeneous Catalysis from the Fundamentals. / Bligaard, Thomas; Nørskov, Jens Kehlet; Lundqvist, Bengt.

    In: Handbook of Surface Science. ed. / E. Hasselbrink; Bengt Lundqvist. Vol. Volume 3 Elsevier Science, 2008.

    Publication: Research - peer-review › Book chapter – Annual report year: 2008

  93. Published

    Using scaling relations to understand trends in the catalytic activity of transition metals. / Jones, Glenn; Pedersen, Thomas Bligaard; Abild-Pedersen, Frank; Nørskov, Jens Kehlet.

    In: Journal of Physics: Condensed Matter, Vol. 20, No. 6, 2008, p. 064239.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  94. 2007
  95. Published

    Catalytic activity of Au nanoparticles. / Larsen, Britt Hvolbæk; Janssens, Ton V.W.; Clausen, Bjerne; Falsig, Hanne; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Nano Today, Vol. 2, No. 4, 2007, p. 14-18.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  96. Published

    CO methanation over supported bimetallic Ni-Fe catalysts: From computational studies towards catalyst optimization. / Kustov, Arkadii; Frey, Anne Mette; Larsen, Kasper Emil; Johannessen, Tue; Nørskov, Jens Kehlet; Christensen, Claus H.

    In: Applied Catalysis A: General, Vol. 320, 2007, p. 98-104.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  97. Published

    Comparing Electrochemical and Biological Water Splitting. / Rossmeisl, Jan; Dimitrievski, Kristian; Siegbahn, P.; Nørskov, Jens Kehlet.

    In: Journal of Physical Chemistry Part C: The Nanomaterials and Interfaces, Vol. 111, No. 51, 2007, p. 18821-18823.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  98. Published

    Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles. / Karlberg, Gustav; Jaramillo, Thomas; Skulason, Egill; Rossmeisl, Jan; Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 99, No. 12, 2007, p. 126101.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  99. Published

    Cyclic Voltammograms from First Principles. / Karlberg, Gustav; Jaramillo, Thomas; Skulason, Egill; Rossmeisl, Jan; Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: E C S Transactions, Vol. 11, No. 1, 2007, p. 759-768.

    Publication: Research - peer-review › Conference article – Annual report year: 2007

  100. Published

    Cyclic Voltammograms From First Principles. / Karlberg, Gustav; Jaramillo, Thomas; Skulason, Egill; Rossmeisl, Jan; Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Meeting Abstracts - Electrochemical Society. Electrochemical Society, Incorporated, 2007. p. Abstract 527.

    Publication: Research - peer-review › Conference abstract in proceedings – Annual report year: 2007

  101. Published

    Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode. / Skulason, Egill; Karlberg, Gustav; Rossmeisl, Jan; Pedersen, Thomas Bligaard; Greeley, Jeffrey Philip; Jonsson, Hannes; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 9, 2007, p. 3241.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  102. Published

    Direct NO decomposition over stepped transition-metal surfaces. / Falsig, Hanne; Bligaard, Thomas; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Pure and Applied Chemistry, Vol. 79, No. 11, 2007, p. 1895-1903.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  103. Published

    Discovery of technical methanation catalysts based on computational screening. / Sehested, Jens; Larsen, Kasper Emil; Kustov, Arkadii; Frey, Anne Mette; Johannessen, Tue; Bligaard, Thomas; Andersson, Martin; Nørskov, Jens Kehlet; Christensen, Claus H.

    In: Topics in Catalysis, Vol. 45, No. 1-4, 2007, p. 9-13.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  104. Published

    Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: Electrochimica Acta, Vol. 52, No. 19, 2007, p. 5829-5836.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  105. Published

    Electrolysis of water on oxide surfaces. / Rossmeisl, Jan; Qu, Z.-W.; Zhu, H.; Kroes, G.-J.; Nørskov, Jens Kehlet.

    In: Journal of Electroanalytical Chemistry, Vol. 607, 2007, p. 83.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  106. Published

    Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory. / Karlberg, Gustav; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 9, 2007, p. 5158.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  107. Published

    Insights into the Reactivity of Supported Au Nanoparticles: Combining Theory and Experiments. / Janssens, Ton V.W.; Clausen, Bjerne S.; Larsen, Britt Hvolbæk; Falsig, Hanne; Christensen, Claus H.; Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Topics in catalysis, Vol. 44, No. 1-2, 2007, p. 15-26.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  108. Published

    Large-scale, density functional theory-based screening of alloys for hydrogen evolution. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 601, 2007, p. 1590.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  109. Published

    Ligand effects in heterogeneous catalysis and electrochemistry. / Pedersen, Thomas Bligaard; Nørskov, Jens Kehlet.

    In: Electrochimica Acta Sp. Iss., Vol. 52, No. 18, 2007, p. 5512-5516.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  110. Published

    Location and coordination of promoter atoms in Co- and Ni-promoted MoS2-based hydrotreating catalysts. / Lauritsen, J.V.; Kibsgaard, J.; Olesen, G.H.; Moses, Poul Georg; Hinnemann, Berit; Helveg, S.; Nørskov, Jens Kehlet; Clausen, B.S.; Topsøe, H.; Lægsgaard, E.; Besenbacher, F.

    In: Journal of Catalysis, Vol. 249, No. 2, 2007, p. 220-233.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  111. Published

    Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces. / Abild-Pedersen, Frank; Greeley, Jeffrey Philip; Studt, Felix; Rossmeisl, Jan; Fronczek-Munter, Ture Rønved; Moses, Poul Georg; Skulason, Egill; Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 99, No. 1, 2007, p. 016105.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  112. Published

    Size-Specific Chemistry on Bimetallic Surfaces : A Combined Experimental and Theoretical Study. / Ruff, M.; Takehiro, N.; Liu, P.; Nørskov, Jens Kehlet; Behmb, R.J.

    In: ChemPhysChem, Vol. 8, No. 14, 2007, p. 2068 - 2071.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  113. Published

    The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study. / Moses, Poul Georg; Hinneman, Berit; Topsøe, Henrik; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 248, 2007, p. 188-203.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  114. Published

    Theoretical trends in particle size effects for the oxygen reduction reaction. / Greeley, Jeffrey Philip; Rossmeisl, Jan; Hellman, Anders; Nørskov, Jens Kehlet.

    In: Zeitschrift für Physikalische Chemie-International Journal of Research in physical Chemistry & Chemical Physics, Vol. 221, No. 9-10, 2007, p. 1209-1220.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  115. Published

    Trends in catalytic NO decomposition over transition metal surfaces. / Falsig, Hanne; Bligaard, Thomas; Rass-Hansen, Jeppe; Kustov, Arkadii; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Topics in Catalysis, Vol. 45, No. 1-4, 2007, p. 117-120.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  116. 2006
  117. Published

    A density functional study of inhibition of the HDS hydrogenation pathway by pyridine, benzene, and H2S on MoS2-based catalysts. / Logadottir, A.; Moses, Poul Georg; Hinnemann, Berit; Topsøe, N.-Y.; Topsøe, H.; Nørskov, Jens Kehlet.

    In: Catalysis Today, Vol. 111, No. 1-2, 2006, p. 44.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  118. Published

    A high-density ammonia storage/delivery system based on Mg(NH3)6Cl2 for SCR-DeNOx in vehicles. / Elmøe, Tobias Dokkedal; Sørensen, Rasmus Zink; Quaade, Ulrich; Christensen, Claus H.; Nørskov, Jens Kehlet; Johannessen, Tue.

    In: Chemical Engineering Science, Vol. 61, No. 8, 2006, p. 2618-2625.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  119. Published

    Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111). / Rossmeisl, Jan; Nørskov, Jens Kehlet; Taylor, C.D.; Janik, M.J.; Neurock, M.

    In: J. Phys. Chem. B, Vol. 110, 2006, p. 21833.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  120. Published

    Catalysis by enzymes: The biological ammonia synthesis. / Hinnemann, Berit; Nørskov, Jens Kehlet.

    In: Top. Catal., Vol. 37, 2006, p. 55.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  121. Published

    Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure. / Stamenkovic, V.; Moon, B.S.; Mayrhofer, J.J.; Ross, P.N.; Markovic, N.M.; Rossmeisl, Jan; Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol. 45, No. 18, 2006, p. 2815.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  122. Published

    Chemistry - Toward efficient hydrogen production at surfaces. / Nørskov, Jens Kehlet; Christensen, Claus H.

    In: Science, Vol. 312, No. 5778, 2006, p. 1322-1323.

    Publication: Research - peer-review › Editorial – Annual report year: 2006

  123. Published

    Computational High-Throughput Screening of Electrocatalytic Materials for Hydrogen Evolution. / Greeley, Jeffrey Philip; Jaramillo, Thomas; Bonde, Jacob; Chorkendorff, Ib; Nørskov, Jens Kehlet.

    In: Nature Materials, Vol. 5, No. 11, 2006, p. 909-913.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  124. Published

    Computational materials design from first principles. / Pedersen, Thomas Bligaard; Andersson, Martin; Jacobsen, Karsten Wedel; Skriver, Hans Lomholt; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: MRS Bulletin, No. december issue, 2006.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  125. Published

    Density functional theory in surface science and heterogeneous catalysis. / Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

    In: Mrs Bulletin, Vol. 31, No. 9, 2006, p. 669-674.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  126. Published

    Electrocatalysis at Nanometer and Sub-Nanometer Scales: Hydrogen Evolution on Supported MoS2 and Mo3S4 Clusters. / Jaramillo, Thomas; Jørgensen, Kristina Pilt; Saadi, Souheil; Bonde, Jacob Lindner; Zhang, Jingdong; Ooi, Bee Lean; Nielsen, Jane Hvolbæk; Horch, Sebastian; Ulstrup, Jens; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Meeting Abstracts - Electrochemical Society. Electrochemical Society, Incorporated, 2006. p. Abstract 99.

    Publication: Research - peer-review › Conference abstract in proceedings – Annual report year: 2006

  127. Published

    Ethylene dissociation on flat and stepped Ni(111): A combined STM and DFT study. / Vang, R.T.; Honkala, Johanna Karoliina; Dahl, S.; Vestergaard, E.K.; Schnadt, J.; Clausen, B.S.; Nørskov, Jens Kehlet; Besenbacher, F.

    In: Surface Science, Vol. 600, No. 1, 2006, p. 66-77.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  128. Published

    Generation of nanopores during desorption of NH3 from Mg(NH3)(6)Cl-2. / Hummelshøj, Jens Strabo; Sørensen, Rasmus Zink; Kostova, M.Y.; Johannessen, Tue; Nørskov, Jens Kehlet; Christensen, Claus H.

    In: J. Am. Chem. Soc., Vol. 128, 2006, p. 16.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  129. Published

    Hydrogen evolution over bimetallic systems : Understanding the trends. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet; Kibler, L.A.; El-Aziz, A.M.; Kolb, D.M.

    In: ChemPhysChem, Vol. 7, 2006, p. 1032-1035.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  130. Published

    Insights into the ammonia synthesis from first-principles. / Hellmann, A.; Honkala, Johanna Karoliina; Remediakis, Ioannis; Logadottir, Ashildur; Carlsson, A.; Dahl, S.; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 600, No. 18, 2006, p. 4264-4268.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  131. Published

    Mechanisms for catalytic carbon nanofiber growth studied by ab initio density functional theory calculations. / Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Rostrup-Nielsen, Jens; Sehested, Jens; Helveg, Stig.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 73, No. 11, 2006, p. 115419.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  132. Published

    Multidimensional effects on dissociation of N-2 on Ru(0001). / Diaz, C.; Vincent, J.K.; Krishnamohan, G.P.; Olsen, R.A.; Kroes, G.J.; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 96, No. 9, 2006, p. 096102.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  133. Published

    Pareto-optimal methanation catalysts. / Nørskov, Jens Kehlet.

    In: Abstracts of Papers of the American Chemical Society, Vol. 231, 2006.

    Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2006

  134. Published

    Predictable reactions. / Christensen, Christina Hviid; Nørskov, Jens Kehlet.

    In: Chemical Engineer, No. 777, 2006, p. 44-45.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  135. Published

    Predicting catalysis: Understanding ammonia synthesis from first-principles calculations. / Hellmann, A.; Baerends, E.J.; Biczysko, M.; Bligaard, T.; Christensen, Claus H.; Clary, D.C.; Dahl, S.; van Harrevelt, R.; Honkala, Johanna Karoliina; Jonsson, H.; Kroes, G.J.; Luppi, M.; Manthe, U.; Nørskov, Jens Kehlet; Olsen, R.A.; Rossmeisl, Jan; Skulason, Egill; Tautermann, C.S.; Varandas, A. J. C.; Vincent, J.K.

    In: J. Phys. Chem., Vol. 110, 2006, p. 17719.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  136. Published

    Reactive and nonreactive scattering of N-2 from Ru(0001): A six-dimensional adiabatic study. / Diaz, C.; Vincent, J.K.; Krishnamohan, G.P.; Olsen, R.A.; Kroes, G.J.; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 125, No. 11, 2006, p. 114706.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  137. Published

    Response to "comment on 'Trends in the exchange current for hydrogen evolution' [J. Electrochem. Soc., 152, J23 (2005)]". / Nørskov, Jens Kehlet; Pedersen, Thomas Bligaard; Logadottir, Ashildur; Kitchin, J.R.; Chen, J.G.; Pandelov, S.; Stimming, U.

    In: Electrochemical Society. Journal, Vol. 153, No. 12, 2006, p. L33-L33.

    Publication: Research - peer-review › Editorial – Annual report year: 2006

  138. Published

    Special Issue – Frontiers in catalysis: A molecular view of industrial catalysis. / Clausen, B.S.; Knudsen, K.G.; Nielsen, P.E.H.; Nørskov, Jens Kehlet.

    In: Catalysis Today, Vol. 111, No. 1-2, 2006, p. 1.

    Publication: Research - peer-review › Editorial – Annual report year: 2006

  139. Published

    Step sites in syngas catalysis. / Rostrup-Nielsen, J.; Nørskov, Jens Kehlet.

    In: Topics in Catalysis, Vol. 40, No. 1-4, 2006, p. 45-48.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  140. Published

    The effect of surface relaxation on the N-2 dissociation rate on stepped Ru: A Transition State Theory Study. / van Harrevelt, Rob; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet; Manthe, Uwe.

    In: Journal of Chemical Physics, Vol. 124, No. 2, 2006, p. 026102.

    Publication: Research - peer-review › Letter – Annual report year: 2006

  141. Published

    Theoretical Description of Simple Electrode Processes. / Nørskov, Jens Kehlet.

    In: Meeting Abstracts - Electrochemical Society. Electrochemical Society, Incorporated, 2006. p. Abstract 434.

    Publication: Research - peer-review › Conference abstract in proceedings – Annual report year: 2006

  142. Published

    Toward computational screening in heterogeneous catalysis: Pareto-optimal methanation catalysts. / Andersson, Martin; Pedersen, Thomas Bligaard; Kustov, Arkadii; Larsen, K.E.; Greeley, Jeffrey Philip; Johannessen, Tue; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 239, 2006, p. 501.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  143. Published

    Towards an ammonia-mediated hydrogen economy?. / Christensen, Claus H.; Johannessen, Tue; Sørensen, Rasmus Zink; Nørskov, Jens Kehlet.

    In: Catalysis Today, Vol. 111, No. (1-2), 2006, p. 140-144.

    Publication: Research - peer-review › Journal article – Annual report year: 2006

  144. 2005
  145. Published

    A density functional study of the chemical differences between type I and II MOS2-based structures in hydrotreating catalysts. / Hinnemann, Berit; Nørskov, Jens Kehlet; Topsøe, H.

    In: J. Phys. Chem. B, Vol. 109, 2005, p. 2245-2253.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  146. Published

    A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 592, 2005, p. 104-111.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  147. Published

    Ammonia synthesis from first principles.. / Nørskov, Jens Kehlet; Honkala, Johanna Karoliina; Remediakis, Ioannis; Logadottir, Ashildur; Christensen, C.; Hellman, Anders; Dahl, Søren; Carlsson, A.

    In: Abstracts of Papers of the American Chemical Society, Vol. 229, 2005, p. U733-U733.

    Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2005

  148. Published

    Ammonia synthesis from first principles calculations. / Honkala, Johanna Karoliina; Hellman, Anders; Remediakis, Ioannis; Logadottir, Ashildur; Carlsson, A.; Dahl, Søren; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Science, Vol. 307, No. 5709, 2005, p. 555-558.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  149. Published

    Bayesian error estimation in density-functional theory. / Mortensen, Jens Jørgen; Kaasbjerg, Kristen; Frederiksen, Søren Lund; Nørskov, Jens Kehlet; Sethna, J.P.; Jacobsen, Karsten Wedel.

    In: Physical Review Letters, Vol. 95, No. 21, 2005, p. 216401.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  150. Published

    Biomimetic hydrogen evolution : MoS2 Nanoparticles as Catalyst for Hydrogen Evolution. / Hinnemann, Berit; Moses, Poul Georg; Bonde, Jacob Lindner; Jørgensen, Kristina Pilt; Nielsen, Jane Hvolbæk; Horch, Sebastian; Chorkendorff, Ib; Nørskov, Jens Kehlet.

    In: American Chemical Society. Journal, Vol. 127, No. 15, 2005, p. 5308-5309.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  151. Published

    Catalytic and enzymatic hydrogen production.. / Nørskov, Jens Kehlet; Hinnemann, Berit.

    In: Abstracts of Papers of the American Chemical Society, Vol. 229, 2005, p. U592-U592.

    Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2005

  152. Published

    Controlling the catalytic bond breaking selectivity of Ni surfaces by step blocking. / Vang, Ronnie T.; Honkala, Johanna Karoliina; Dahl, Søren; Vestergaard, E.K.; Schnadt, Joachim; Lægsgaard, Erik; Clausen, Bjerne S.; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Nature Materials, Vol. 4, 2005, p. 160-162.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  153. Published

    Conversion of Hydrogen on alloys and inorganic compounds. / Chorkendorff, Ib; Hinnemann, Berit; Moses, Poul Georg; Bonde, Jacob Lindner; Andersen, Michael; Nørskov, Jens Kehlet.

    In: Electrochemical Society. Meeting Abstracts, 2005, p. Abstract 1599.

    Publication: Research - peer-review › Conference article – Annual report year: 2005

  154. Published

    CO oxidation on gold nanoparticles: Theoretical studies. / Remediakis, Ioannis; Lopez, Nuria; Nørskov, Jens Kehlet.

    In: Applied Catalysis A, Vol. 291, 2005, p. 13–20.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  155. Published

    CO oxidation on rutile-supported Au nanoparticles. / Remediakis, Ioannis; Lopez, Nuria; Nørskov, Jens Kehlet.

    In: Angew. Chemie Int., Vol. 44, No. 12, 2005, p. 1824-1826.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  156. Published

    Electrolysis of water on (oxidized) metal surfaces. / Rossmeisl, Jan; Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: Chemical Physics, Vol. 319, No. 1-3, 2005, p. 178-184.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  157. Published

    Metal ammine complexes for hydrogen storage. / Christensen, Claus H.; Sørensen, Rasmus Zink; Johannessen, Tue; Quaade, Ulrich; Honkala, Johanna Karoliina; Elmøe, Tobias Dokkedal; Køhler, Rikke; Nørskov, Jens Kehlet.

    In: Journal of Materials Chemistry, Vol. 15, No. 38, 2005, p. 4106-4108.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  158. Published

    Methane activation on Ni(111) : Effects of poisons and step defects. / Abild-Pedersen, Frank; Lytken, Ole; Engbæk, Jakob; Nielsen, Gunver; Chorkendorff, Ib; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 290, No. 2-3, 2005, p. 127-137.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  159. Published

    Methane Activation on Ni model surfaces based on Density Functional Theory. / Abild-Pedersen, Frank; Nørskov, Jens Kehlet (Supervisor).

    2005.

    Publication: Research › Ph.d. thesis – Annual report year: 2005

  160. Published

    Negative surface energy - Clearing up confusion - Response. / Lodziana, Zbigniew; Topsøe, N.Y.; Nørskov, Jens Kehlet.

    In: Nature Materials, Vol. 4, No. 3, 2005, p. 186-186.

    Publication: Research - peer-review › Letter – Annual report year: 2005

  161. Published

    Scientific and technological issues related to the production of ultra low sulfur diesel (ULSD).. / Topsøe, H.; Carlsson, A.; Brorson, M.; Clausen, B.S.; Hansen, P.L.; Egeberg, R.C.; Hytoft, G.; Topsøe, N.Y.; Knudsen, K.G.; Lauritsen, J.; Besenbacher, Flemming; Hinnemann, Berit; Moses, Poul Georg; Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: Abstracts of Papers of the American Chemical Society, Vol. 229, 2005, p. U592-U592.

    Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2005

  162. Published

    The Electronic Structure Effect in Heterogeneous Catalysis. / Nilsson, A.; Pettersson, L. G. M.; Hammer, Bjørk; Pedersen, Thomas Bligaard; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Catalysis Letters, Vol. 100, No. 3-4, 2005, p. 111-114.

    Publication: Research › Journal article – Annual report year: 2005

  163. Published

    The Ligand Effect: CO desorption from Pt/Ru catalysts. / Davies, Jonathan Conrad; Bonde, Jacob; Logadottir, Ashildur; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Fuel Cells, Vol. 5, No. 4, 2005, p. 429-435.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  164. Published

    The reaction rate for dissociative adsorption of N-2 on stepped Ru(0001): Six-dimensional quantum calculations. / van Harrevelt, Rob; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet; Manthe, Uwe.

    In: Journal of Chemical Physics, Vol. 122, No. 23, 2005, p. 234702.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  165. Published

    The role of reaction pathways and support interactions in the development of high activity hydrotreating catalysts. / Topsøe, Henrik; Hinnemann, Berit; Nørskov, Jens Kehlet; Lauritsen, Jeppe V.; Besenbacher, Flemming; Hansen, Poul L.; Hyltoft, Glen; Egeberg, Rasmus; Knudsen, Kim G.

    In: Catalysis Today, Vol. 107, 2005, p. 12-22.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  166. Published

    Trends in hydride formation energies for megnesium-3d transition metal alloys. / Vegge, Tejs; Hedegaard-Jensen, Lise S.; Bonde, Jacob; Munter, Ture Rønved; Nørskov, Jens Kehlet.

    In: J. Alloys and Compounds, Vol. 386, 2005, p. 1-7.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  167. Published

    Trends in the chemical properties in early transition metal carbide surfaces: A density functional study. / Kitchin, J.R.; Nørskov, Jens Kehlet; Barteau, M.A.; Chen, J.G.

    In: Catalysis Today, Vol. 105, No. 1, 2005, p. 66-73.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  168. Published

    Trends in the exchange current for hydrogen evolution. / Nørskov, Jens Kehlet; Bligaard, Thomas; Logadottir, Ashildur; Kitchin, J.R.; Chen, J.G.; Pandelov, S.; Stimming, U.

    In: Electrochemical Society. Journal, Vol. 152, No. 2, 2005, p. J23-J26.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  169. Published

    Understanding the effect of steps, strain, poisons, and alloying: Methane activation on Ni surfaces. / Abild-Pedersen, Frank; Greeley, Jeffrey Philip; Nørskov, Jens Kehlet.

    In: Catalysis Letters, Vol. 105, No. 1-2, 2005, p. 9-13.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  170. Published

    Why the Optimal Ammonia Synthesis Catalyst is not the Optimal Ammonia Decomposition Catalyst. / Boisen, Astrid; Dahl, Søren; Nørskov, Jens Kehlet; Christensen, Claus H.

    In: Jounal of Catalysis, Vol. 230, 2005, p. 309-312.

    Publication: Research - peer-review › Journal article – Annual report year: 2005

  171. 2004
  172. Published

    A negative surface energy for alumina. / Lodziana, Zbigniew; Topsøe, N.-Y.; Nørskov, Jens Kehlet.

    In: Nature Mat., Vol. 3, 2004, p. 289-293.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  173. Published

    Atomic-scale imaging of carbon nanofiber growth. / Helveg, S.; López-Cartes, C.; Sehested, J.; Hansen, P.L.; Clausen, B.S.; Rostrup-Nielsen, J.R.; Abild-Pedersen, Frank; Nørskov, Jens Kehlet.

    In: Nature, Vol. 427, 2004, p. 426-429.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  174. Published

    Atomic-scale insight into structure and morphology changes of MoS2 nanoclusters in hydrotreating catalysts,. / Lauritsen, J.V.; Bollinger, Mikkel; Læsgaard, E.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Clausen, B.S.; Topsøe, H.; Besenbacher, F.

    In: Journal of Catalysis, Vol. 221, 2004, p. 510-522.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  175. Published

    Chemical activity of the nitrogenase FeMo cofactor with a central nitrogen ligand: A density functional study. / Hinnemann, Berit; Nørskov, Jens Kehlet.

    In: J. Am. Chem. Soc., Vol. 126, 2004, p. 3920-3927.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  176. Published

    CO desorption rate dependence on CO partial pressure over Pt fuel cell catalyst. / Davies, Jonathan Conrad; Nielsen, R.M.; Thomsen, Lasse Bjørchmar; Chorkendorff, Ib; Logadottir, Ashildur; Lodziana, Zbigniew; Nørskov, Jens Kehlet; Li, W.X.; Hammer, Bjørk; Longwitz, S.R.; Schnadt, J.; Vestergaard, E.K.; Vang, R.T.; Besenbacher, F.

    In: Fuel Cells, No. 4, 2004, p. 309-319.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  177. Published

    DFT study of formaldehyde and methanol synthesis from CO and H2 on Ni(111). / Remediakis, Ioannis; Abild-Pedersen, Frank; Nørskov, Jens Kehlet.

    In: J. Phys. Chem. B, Vol. 108, 2004, p. 14535-14540.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  178. Published

    Elastic effects behind cooperative bonding inβ-sheets. / Rossmeisl, Jan; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel.

    In: J. Am. Chem. Soc., Vol. 126, 2004, p. 13140-13143.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  179. Published

    Hydrodesulfurization reaction pathways on MoS2 nanoclusters revealed by Scanning Tunneling Microscopy. / Lauritsen, J.V.; Nyberg, M.; Nørskov, Jens Kehlet; Clausen, B.S.; Topsøe, H.; Lægsgaard, E.; Besenbacher, F.

    In: J. Catal., Vol. 224, 2004, p. 94-106.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  180. Published

    Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals. / Kitchin, J. R.; Nørskov, Jens Kehlet; Barteau, M. A.; Chen, J. G.

    In: Journal of Chemical Physics, Vol. 120, No. 21, 2004, p. 10240-10246.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  181. Published

    Nano-scale effects in electrochemistry. / Meier, J.; Schiøtz, Jakob; Liu, Ping; Nørskov, Jens Kehlet; Stimming, U.

    In: Chemical Physics Letters, Vol. 390, No. 4-6, 2004, p. 440-444.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  182. Published

    On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation. / Lopez, Nuria; Janssens, T.V.W.; Clausen, B.S.; Xu, Y.; Mavrikakis, Manos; Pedersen, Thomas Bligaard; Nørskov, Jens Kehlet.

    In: J. Catal., Vol. 223, 2004, p. 232-235.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  183. Published

    Origin of the overpotential for oxygen reduction at a fuel cell cathode. / Nørskov, Jens Kehlet; Rossmeisl, Jan; Logadottir, Ashildur; Lindqvist, Lars; Kitchin, J.R.; Pedersen, Thomas Bligaard; Jonsson, Hannes.

    In: J. Phys. Chem. B, Vol. 108, 2004, p. 17886-17892.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  184. Published

    Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces. / Kitchin, J.R.; Nørskov, Jens Kehlet; Barteau, M.A.; Chen, J.G.

    In: Physical Review Letters, Vol. 93, No. 15, 2004, p. 156801.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  185. Published

    Sintering of nickel steam-reforming catalysts: Effects of temperature and steam and hydrogen pressures. / Sehested, J.; Gelten, J.A.P.; Remediakis, Ioannis; Bengaard, Hanne Skov; Nørskov, Jens Kehlet.

    In: J. Catal., Vol. 223, 2004, p. 432-443.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  186. Published

    Spectroscopic link between adsorption site occupation and local surface chemical reactivity. / Baraldi, A.; Lizzit, S.; Comelli, G.; Kiskinova, M.; Rosei, R.; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 93, No. 4, 2004, p. 046101.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  187. Published

    Structure of the FeFe-cofactor of the iron-only nitrogenase and possible mechanism for dinitrogen reduction. / Hinnemann, Berit; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 6, No. 4, 2004, p. 843-853.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  188. Published

    The adhesion and shape of nanosized Au particles in a Au/TiO2 catalyst. / Lopez, Nuria; Nørskov, Jens Kehlet; Janssens, T.W.; Carlsson, A.; Puig-Molina, A.; Clausen, B.S.; Grundwaldt, J.-D.

    In: J. Catal., Vol. 225, 2004, p. 86-94.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  189. Published

    The Brøndsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis. / Pedersen, Thomas Bligaard; Nørskov, Jens Kehlet; Dahl, Søren; Matthiesen, J.; Christensen, Claus H.; Sehested, J.S.

    In: J. Catal, Vol. 224, 2004, p. 206-217.

    Publication: Research - peer-review › Journal article – Annual report year: 2004

  190. 2003
  191. Published

    A direct theoretical approach to the design of super-alloys. / Bligaard, Thomas; Nørskov, Jens Kehlet.

    In: Materialenyt 2, 2003.

    Publication: Communication › Journal article – Annual report year: 2003

  192. Published

    Ammonia synthesis over a Ru(0001) surface studied by density functional calculations. / Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: J. Catal., Vol. 220, No. 2, 2003, p. 273.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  193. Published

    A simple and realistic model system for studying hydrogen bonds in beta-sheets. / Rossmeisl, Jan; Hinnemann, Berit; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Olsen, Ole H.; Pedersen, Jan T.

    In: Journal of Chemical Physics, Vol. 118, No. 21, 2003, p. 9783-9794.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  194. Published

    Atomic and electronic structure of MoS2 nanoparticles. / Bollinger, Mikkel; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 67, No. 8, 2003, p. 085410.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  195. Published

    beta-sheet preferences from first principles. / Rossmeisl, Jan; Bækgaard, Iben Sig Buur; Gregersen, Misha Marie; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel.

    In: American Chemical Society. Journal, Vol. 125, No. 52, 2003, p. 16383-16386.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  196. Published

    Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110). / Wahlström, E. (Editor); Lopez, Nuria; schaub, R.; Thostrup, P.; Rønnau, A.; Africh, C.; Lægsgaard, E.; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 90, No. 2, 2003, p. 026101.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  197. Published

    Chemistry of one-dimensional metallic edge states in MoS2 nanoclusters. / Lauritsen, J.V.; Nyberg, M.; Vang, R.T.; Bollinger, Mikkel; Clausen, B.S.; Topsøe, H.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Nanotechnology, Vol. 14, 2003, p. 385-389.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  198. Published

    High throughput experimental and theoretical predictive screening of materials – A comparative study of search strategies for new fuel cell anode catalysts. / Strasser, P.; Fan, Q.; Devenney, M.; Weinberg, H.W.; Liu, Ping; Nørskov, Jens Kehlet.

    In: Phys. Chem B, Vol. 107, 2003, p. 11013-11021.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  199. Published

    Modeling a central ligand in the nitrogenase FoMo cofactor. / Hinnemann, Berit; Nørskov, Jens Kehlet.

    In: J. Am. Chem. Soc., Vol. 25, No. 6, 2003, p. 1466.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  200. Published

    Modeling the electro-oxidation of CO and H2/CO on Pt, Ru, PtRu and Pt3Sn. / Liu, Ping; Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: Electrochimica Acta, Vol. 48, No. 25-26, 2003, p. 3731-3742.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  201. Published

    On the compensation effect in heterogeneous catalysis. / Pedersen, Thomas Bligaard; Honkala, Johanna Karoliina; Logadottir, Ashildur; Nørskov, Jens Kehlet; Dahl, Søren; Jacobsen, Claus J. H.

    In: J. Phys. Chem B, Vol. 107, 2003, p. 9325-9331.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  202. Published

    Pareto-optimal alloys. / Bligaard, Thomas; Johannesson, Gisli Holmar; Ruban, Andrei; Skriver, Hans Lomholt; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Applied Physics Letters, Vol. 83, No. 22, 2003, p. 4527-4529.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  203. Published

    The stability of the hydroxylated (0001) surface of alpha-Al2O3. / Lodziana, Zbigniew; Nørskov, Jens Kehlet; Stoltze, Per.

    In: Journal of Chemical Physics, Vol. 118, No. 24, 2003, p. 11179-11188.

    Publication: Research - peer-review › Journal article – Annual report year: 2003

  204. 2002
  205. Published

    Adsorption-induced restructuring of gold nanochains. / Bahn, Sune Rastad; Lopez, Nuria; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 66, No. 8, 2002, p. 081405.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  206. Published

    ANODE CATALYST MATERIALS FOR USE IN FUEL CELLS. / Nørskov, Jens Kehlet (Inventor); Liu, Ping (Inventor).

    Patent No.: WO2002082566. Oct 17, 2002.

    Publication: Research › Patent – Annual report year: 2002

  207. Published

    Atomic and molecular adsorption on Rh(111). / Mavrikakis, Manos; Rempel, J.; Greeley, Jeffrey Philip; Hansen, Lars Bruno; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 117, No. 14, 2002, p. 6737-6744.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  208. Published

    Catalytic CO oxidation by a gold nanoparticle: A density functional study. / Lopez, Nuria; Nørskov, Jens Kehlet.

    In: Journal of the american chemical society, Vol. 124, No. 38, 2002, p. 11262-11263.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  209. Published

    Combined electronic structure and evolutionary search approach to materials design. / Johannesson, Gisli Holmar; Bligaard, Thomas; Ruban, Andrei; Skriver, Hans Lomholt; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 88, No. 25, 2002, p. 255506.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  210. Published

    Electronic structure and catalysis on metal surfaces. / Greeley, Jeffrey Philip; Nørskov, Jens Kehlet; Mavrikakis, Manos.

    In: Annual Reviews of Physical Chemistry. Vol. 53 2002.

    Publication: Research - peer-review › Book chapter – Annual report year: 2002

  211. Published

    Hydrogen and Synthesis gas by Steam- and CO2 reforming. / Rostrup-Nielsen, J.R.; Sehested, J.; Nørskov, Jens Kehlet.

    In: Advances in Catalysis. Vol. 47 2002.

    Publication: Research - peer-review › Book chapter – Annual report year: 2002

  212. Published

    Interaction of Pd with steps on alpha-Al2O3(0001). / Lodziana, Zbiegniew; Nørskov, Jens Kehlet.

    In: Surface science, Vol. 518, No. 1-2, 2002, p. L577-L582.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  213. Published

    Interaction of Pd with steps on α-Al2O3(0001),. / Lodziana, Zbigniew; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 518, No. 1-2, 2002, p. L577-L582.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  214. Published

    Monte Carlo simulations of adsorption-induced segregation. / Christoffersen, Ebbe; Stoltze, Per; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 505, No. 1-3, 2002, p. 200-214.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  215. Published

    Optimal catalyst curves: Connecting density functional theory calculations with industrial reactor design and catalyst selection. / Jacobsen, C.J.H.; Dahl, Søren; Boisen, A.; Clausen, B.S.; Topsoe, H.; Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: Journal of catalysis, Vol. 205, No. 2, 2002, p. 382-387.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  216. Published

    Steam reforming and graphite formation on Ni catalysts. / Bengaard, Hanne Skov; Nørskov, Jens Kehlet; Sehested, J.S.; Clausen, B.S.; Nielsen, L.P.; Molenbrock, Alfons; Rostrup-Nielsen, J.R.

    In: Journal of Catalysis, Vol. 209, 2002, p. 365-384.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  217. Published

    Structure sensitivity of CO dissociation on Rh surfaces. / Mavrikakis, Manos; Baumer, M.; Freund, H.J.; Nørskov, Jens Kehlet.

    In: Catalysis letters, Vol. 81, No. 3-4, 2002, p. 153-156.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  218. Published

    Surface Alloys and Alloy Surfaces. / Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet.

    In: The Chemical Physics of Solid Surfaces. Vol. 10 Elsevier, 2002.

    Publication: Research - peer-review › Book chapter – Annual report year: 2002

  219. Published

    Theoretical study of the Au/TiO2(110) interface. / Lopez, Nuria; Nørskov, Jens Kehlet.

    In: Surface science, Vol. 515, No. 1, 2002, p. 175-186.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  220. Published

    The surface science of enzymes. / Rod, Thomas Holm; Nørskov, Jens Kehlet.

    In: Surface science, Vol. 500, No. 1-3, 2002, p. 678-698.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  221. Published

    Universality in heterogeneous catalysis. / Nørskov, Jens Kehlet; Pedersen, Thomas Bligaard; Logadottir, Ashildur; Bahn, Sune Rastad; Hansen, Lars Bruno; Bollinger, Mikkel; Bengaard, Hanne Skov; Hammer, Bjørk; Sljivancanin, Z.; Mavrikakis, Manos; Xu, Y.; Dahl, Søren; Jacobsen, C.J.H.

    In: Journal of catalysis, Vol. 209, No. 2, 2002, p. 275-278.

    Publication: Research - peer-review › Journal article – Annual report year: 2002

  222. 2001
  223. Published

    Adsorption-induced step formation. / Thostrup, P.; Christoffersen, Ebbe; Lorensen, Henrik Qvist; Jacobsen, Karsten Wedel; Besenbacher, Flemming; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 87, No. 12, 2001, p. 126102.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  224. Published

    Adsorption of Cu and Pd on alpha-Al2O3(0001) surfaces with different stoichiometries. / Lodziana, Zbigniew; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 115, No. 24, 2001, p. 11261.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  225. Published

    Anode Materials for Low-Temperature Fuel Cells: A Density Functional Theory Study. / Christoffersen, Ebbe; Liu, Ping; Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 199, No. 1, 2001, p. 123-131.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  226. Published

    Catalysis frozen in time. / Nørskov, Jens Kehlet.

    In: Nature, Vol. 414, No. 6862, 2001, p. 405.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  227. Published

    Catalyst design by interpolation in the periodic table: Bimetallic ammonia synthesis catalysts. / Jacobsen, C.J.H.; Dahl, Søren; Clausen, B.S.; Bahn, Sune Rastad; Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: American Chemical Society. Journal, Vol. 123, No. 34, 2001, p. 8404-8405.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  228. Published

    Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111). / Watwe, R.M.; Cortright, R.D.; Mavrikakis, Manos; Nørskov, Jens Kehlet; Dumesic, J.A.

    In: Journal of Chemical Physics, Vol. 114, No. 10, 2001, p. 4663-4668.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  229. Published

    Electronic factors in catalysis: the volcano curve and the effect of promotion in catalytic ammonia synthesis. / Dahl, Søren; Logadottir, Ashildur; Jacobsen, C.J.H.; Nørskov, Jens Kehlet.

    In: Applied catalysis a-general, Vol. 222, No. 1-2, 2001, p. 19-29.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  230. Published

    Kinetics of the anode processes in PEM fuel cells - The promoting effect of Ru in PtRu anodes. / Liu, Ping; Nørskov, Jens Kehlet.

    In: Fuel Cells, Vol. 1, 2001, p. 192.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  231. Published

    Ligand and ensemble effects in adsorption on alloy surfaces. / Liu, Ping; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 3, No. 17, 2001, p. 3814-3818.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  232. Published

    N2 dissociation on Fe(110) and Fe/Ru(0001): What is the role of steps?. / Egeberg, Rasmus; Dahl, Søren; Logadottir, Ashildur; Larsen, Jane Hvolbæk; Nørskov, Jens Kehlet; Chorkendorff, Ib.

    In: Surface Science, Vol. 491, No. 1-2, 2001, p. 183-194.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  233. Published

    One-dimensional metallic edge states in MoS2. / Bollinger, Mikkel; Lauritsen, J.V.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Helveg, S.; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 87, No. 19, 2001, p. 196803.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  234. Published

    Oxygen vacancies as active sites for water dissociation on rutile TiO2(110). / Schaub, R.; Thostrup, P.; Lopez, Nuria; Lægsgaard, E.; Stensgaard, I.; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 87, No. 26, 2001, p. 266104.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  235. Published

    Structure and reactivity of Ni-Au nanoparticle catalysts. / Molenbroek, A.M.; Nørskov, Jens Kehlet; Clausen, B.S.

    In: J. Phys. Chem. B, Vol. 105, 2001, p. 5450.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  236. Published

    Synergetic effects in CO adsorption on Cu-Pd(111) alloys. / Lopez, Nuria; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 477, No. 1, 2001, p. 59.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  237. Published

    The Brønsted-Evans-Polanyi relation and the volcano plot for ammonia synthesis over transition metal catalysts. / Logadottir, Ashildur; Rod, Thomas Holm; Nørskov, Jens Kehlet; Hammer, Bjørk; Dahl, Søren; Jacobsen, C.J.H.

    In: Journal of Catalysis, Vol. 197, 2001, p. 229-231.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  238. Published

    The CO/Pt(111) puzzle. / Feibelmann, P.J.; Hammer, Bjørk; Nørskov, Jens Kehlet; Wagner, F.; Scheffler, M.; Stumpf, R.; Watwe, R.; Dumesic, J.

    In: J. Phys. Chem. B, Vol. 105, 2001, p. 4018.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  239. Published

    The effect of strain for N2 dissociation on Fe surfaces. / Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 489, No. 1-3, 2001, p. 135.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  240. 2000
  241. Published

    A comparative theoretical study of the hydrogen, methyl, and ethyl chemisorption on the Pt(111) surface. / Papoian, G.; Nørskov, Jens Kehlet; Hoffmann, R.

    In: J. Am. Chem. Soc., Vol. 122, 2000, p. 4129.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  242. Published

    Ammonia synthesis at low temperatures. / Rod, Thomas Holm; Logadottir, Ashildur; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 112, No. 12, 2000, p. 5343-5347.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  243. Published

    Asymmetric pair distribution functions in catalysts. / Clausen, B. S.; Nørskov, Jens Kehlet.

    In: Topics in Catalysis, Vol. 10, No. 3-4, 2000, p. 221-230.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  244. Published

    Atomic-scale structure of single-layer MoS2 nanoclusters. / Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.; Stensgaard, I.; Nørskov, Jens Kehlet; Clausen, B. S.; Topsøe, H.; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 84, No. 5, 2000, p. 951-954.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  245. Published

    Diffusion of N adatoms on the Fe(100) surface. / Pedersen, M. Ø.; Österlund, L.; Mortensen, Jens Jørgen; Mavrikakis, Manos; Hansen, Lars Bruno; Stensgaard, I.; Lægsgaard, E.; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 84, No. 21, 2000, p. 4898-4901.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  246. Published

    Edge termination of MoS2 and CoMoS catalyst particles. / Byskov, Line Sjolte; Nørskov, Jens Kehlet; Clausen, B. S.; Topsøe, H.

    In: Catalysis Letters, Vol. 64, No. 2-4, 2000, p. 95-99.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  247. Published

    First principles analysis of hydrogen chemisorption on Pd-Re alloyed overlayers and alloyed surfaces. / Pallassana, Venkataraman; Neurock, Matthew; Hansen, Lars Bruno; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 112, No. 12, 2000, p. 5435-5439.

    Publication: Research - peer-review › Journal article – Annual report year: 2001

  248. Published

    Making gold less noble. / Mavrikakis, Manos; Stoltze, Per; Nørskov, Jens Kehlet.

    In: Catal. Lett., Vol. 64, No. 2-4, 2000, p. 101-106.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  249. Published

    Molecular aspects of the H2 activation on MoS2 based catalysts - the role of dynamic surface arrangements. / Byskov, Line Sjolte; Bollinger, Mikkel; Nørskov, Jens Kehlet.

    In: J. Mol. Catal. A: Chemical, Vol. 163, 2000, p. 117.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  250. Published

    Steps, kinks, and segregation at metallic surfaces. / Skriver, Hans Lomholt; Ruban, Andrei; Nørskov, Jens Kehlet; Vitos, Levente; Kollár, J.

    In: Progress in Surf. Sci., Vol. 64, 2000, p. 193.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  251. Published

    Surface chemistry in three dimensions : CO dissociation between two surfaces. / Bollinger, Mikkel; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Chemical Physics Letters, Vol. 322, No. 5, 2000, p. 307.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  252. Published

    Surface science - How to power a nanomotor. / Nørskov, Jens Kehlet.

    In: Science, Vol. 290, No. 5496, 2000, p. 1520.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  253. Published

    Theoretical studies of stability and reactivity of C2 hydrocarbon species on Pt clusters, Pt(111) and Pt(211). / Watwe, R. M.; Cortright, R. D.; Nørskov, Jens Kehlet; Dumesic, J. A.

    In: J. Phys. Chem. B, Vol. 104, 2000, p. 2299.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  254. Published

    Theoretical studies of stability and reactivity of CHx species on Ni(111). / Watwe, R. M.; Bengaard, Hanne Skov; Rostrup-Nielsen, J. R.; Dumesic, J. A.; Nørskov, Jens Kehlet.

    In: J. Catal., Vol. 189, 2000, p. 16.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  255. Published

    Theoretical surface science and catalysis - calculations and concepts. / Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Advances in Catalysis, Vol. 45, 2000, p. 71.

    Publication: Research - peer-review › Journal article – Annual report year: 2000

  256. 1999
  257. Published

    Dissociation of N2, NO, and CO on transition metal surfaces. / Mavrikakis, Manos; Hansen, Lars Bruno; Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Transition State Modeling for Catalysis. American Chemical Society, 1999. p. 245-258.

    Publication: Research - peer-review › Book chapter – Annual report year: 1999

  258. Published

    Advances in deep desulfurization. / Topsøe, Henrik; Knudsen, K.G.; Byskov, Line Sjolte; Nørskov, Jens Kehlet; Clausen, Bjerne S.

    In: Studies in Surface Science and Catalysis, vol 121. Elsevier, 1999.

    Publication: Research - peer-review › Article in proceedings – Annual report year: 1999

  259. Published

    Chemisorption of methane on Ni(100) and Ni(111) surfaces with preadsorbed potassium. / Bengaard, Hanne Skov; Alstrup, Ib; Chorkendorff, Ib; Ullmann, S.; Rostrup-Nielsen, Jens R.; Nørskov, Jens Kehlet.

    In: Journal of Catalysis, Vol. 187, No. 1, 1999, p. 238.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  260. Published

    DFT calculations of unpromoted and promoted MoS2 based hydordesulfurization catalysts. / Byskov, Line Sjolte; Nørskov, Jens Kehlet; Clausen, Bjerne S.; Topsøe, Henrik.

    In: J. Catal., Vol. 187, 1999, p. 109.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  261. Published

    Enhancement of surface self-diffusion of platinum atoms by adsorbed hydrogen. / Horch, Sebastian; Lorensen, Henrik Qvist; Helveg, Stig; Lægsgaard, Erik; Stensgaard, Ivan; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Nature, Vol. 398, 1999, p. 134.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  262. Published

    How a gold substrate can increase the reactivity of a Pt overlayer. / Pedersen, Morten Ø.; Helveg, Stig; Ruban, Andrei; Stensgaard, Ivan; Lægsgaard, Erik; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Surface Science, Vol. 426, No. 3, 1999, p. 395-409.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  263. Published

    Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. / Hammer, Bjørk; Hansen, Lars Bruno; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 59, No. 11, 1999, p. 7413-7421.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  264. Published

    Mechanisms of self-diffusion on Pt(110). / Lorensen, Henrik Qvist; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel.

    In: Physical Review B Condensed Matter, Vol. 60, No. 8, 1999, p. R5149-R5152.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  265. Published

    Molecular N-2 chemisorption-specific adsorption on step defect sites on Pt surfaces. / Tripa, C. Emil; Zubkov, T.S.; Yates, John T.; Mavrikakis, Manos; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 111, No. 18, 1999, p. 8651-8658.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  266. Published

    Nitrogen adsorption and dissociation on Fe(111). / Mortensen, Jens Jørgen; Hansen, Lars Bruno; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: J.Catal., Vol. 182, 1999, p. 479.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  267. Published

    Nitrogen Adsorption and Hydrogenation on a MoFe6S9 Complex. / Rod, Thomas Holm; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 82, No. 20, 1999, p. 4054-4057.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  268. Published

    Nitrogen adsorption on Fe(111), (100), and (110) surfaces. / Mortensen, Jens Jørgen; Ganduglia-Pirovano, Veronica; Hansen, Lars Bruno; Hammer, Bjørk; Stoltze, Per; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 422, No. 1-3, 1999, p. 8-16.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  269. Published

    Oxygen adsorption on Pt(110)-(1x2): new high-coverage structures. / Helveg, Stig; Lorensen, Henrik Qvist; Horch, Sebastian; Lægsgaard, Erik; Stensgaard, Ivan; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Surface Science, Vol. 430, No. 1-3, 1999, p. L533-L539.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  270. Published

    Role of steps in N-2 activation on Ru(0001). / Dahl, Søren; Logadottir, Ashildur; Egeberg, Rasmus; Nielsen, Jane Hvolbæk; Chorkendorff, Ib; Törnqvist, Eric; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 83, No. 9, 1999, p. 1814-1817.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  271. Published

    Surface segregation energies in transition-metal alloys. / Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 59, No. 24, 1999, p. 15990-16000.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  272. Published

    Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001) and PdML/Re(0001), ReML/Pd(111) pseudomorphic overlayers. / Pallassana, Venkataraman; Neurock, Matthew; Hansen, Lars Bruno; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 60, No. 8, 1999, p. 6146-6154.

    Publication: Research - peer-review › Journal article – Annual report year: 1999

  273. 1998
  274. Published

    A theoretical study of adsorption and dissociation on metal surfaces. / Mortensen, Jens Jørgen; Jacobsen, Karsten Wedel (Supervisor); Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 1998.

    Publication: Research › Ph.d. thesis – Annual report year: 1998

  275. Published

    Alkali promotion of N-2 dissociation over Ru(0001). / Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 80, No. 19, 1998, p. 4333-4339.

    Publication: Research - peer-review › Journal article – Annual report year: 1998

  276. Published

    A theoretical study of adsorbate-adsorbate interactions on Ru(0001). / Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 414, No. 3, 1998, p. 315-329.

    Publication: Research - peer-review › Journal article – Annual report year: 1998

  277. Published

    Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys. / Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 80, No. 6, 1998, p. 1240-1243.

    Publication: Research - peer-review › Journal article – Annual report year: 1998

  278. Published

    Design of a surface alloy catalyst for steam reforming. / Besenbacher, F.; Chorkendorff, Ib; Clausen, B.S.; Hammer, Bjørk; Molenbrock, Alfons; Nørskov, Jens Kehlet; Stensgaard, I.

    In: Science, Vol. 279, No. 5358, 1998, p. 1913-1915.

    Publication: Research - peer-review › Journal article – Annual report year: 1998

  279. Published

    Dissociation of N2, NO, and CO on transition metal surfaces. / Mavrikakis, Manos; Hansen, Lars Bruno; Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet; Truhlar, D.G. (Editor); Morokuma, K. (Editor).

    In: American Chemical Society Symposium Series. 1998.

    Publication: Research - peer-review › Article in proceedings – Annual report year: 1998

  280. Published

    Effect of Strain on the Reactivity of Metal Surfaces. / Mavrikakis, Manos; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 81, No. 13, 1998, p. 2819-2822.

    Publication: Research - peer-review › Journal article – Annual report year: 1998

  281. Published

    Sulphur bonding in transition metal sulphides and MoS2 based structures. / Byskov, Line Sjolte; Nørskov, Jens Kehlet; Clausen, B.S.; Topsøe, H.; Weber, T. (Editor).

    In: Transition Metal Sulphides. Kluwer Academic Press, 1998.

    Publication: Research - peer-review › Article in proceedings – Annual report year: 1998

  282. 1997
  283. Published

    A comparison of N2 and CO adsorption on Ru(001). / Mortensen, Jens Jørgen; Morikawa, Y.; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Zeitschrift für Physikalische Chemie, Vol. 198, 1997, p. 113.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  284. Published

    Adsorbate Reorganization at Steps: NO on Pd(211). / Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 79, No. 22, 1997, p. 4441-4444.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  285. Published

    CO adsorption and dissociation on Pt(111) and Ni(111) surfaces. / Morikawa, Y.; Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 386, No. 1-3, 1997, p. 67.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  286. Published

    Comment on “Cs-Induced Relaxation of the Cu(110) Surface”. / Madsen, A. C. Egsgaard; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 78, No. 1, 1997, p. 158.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  287. Published

    Density functional calculations of N2 adsorption and dissociation on a Ru(0001) surface. / Mortensen, Jens Jørgen; Morikawa, Y.; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: J. Catal., Vol. 169, 1997, p. 85.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  288. Published

    Growth of Co on Cu(111), Subsurface growth of trilayer Co islands. / Pedersen, M.Ø.; Bönicke, I.A.; Lægsgaard, E.; Stensgaard, I.; Ruban, Andrei; Nørskov, Jens Kehlet; Besenbacher, F.

    In: Surface Science, Vol. 387, No. 1-3, 1997, p. 86-101.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  289. Published

    Kinetic implications of dynamic changes in catalyst morphology during methanol synthesis over Cu/ZnO catalysts. / Ovesen, C.; Clausen, B.S.; Schiøtz, Jakob; Stoltze, Per; Topsøe, H.; Nørskov, Jens Kehlet.

    In: J. Catal., Vol. 168, 1997, p. 133.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  290. Published

    Phase diagrams for surface alloys. / Christensen, Asbjørn; Ruban, Andrei; Stoltze, Per; Jacobsen, Karsten Wedel; Skriver, Hans Lomholt; Nørskov, Jens Kehlet; Besenbacher, Flemming.

    In: Physical Review B Condensed Matter, Vol. 56, No. 10, 1997, p. 5822-5834.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  291. Published

    Scattering and conductance quantization in three-dimensional metal nanocontacts. / Brandbyge, Mads; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 55, No. 4, 1997, p. 2637-2650.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  292. Published

    Structure sensitivity in adsorption : CO interaction with stepped and reconstructed Pt surfaces. / Hammer, Bjørk; Nielsen, Ole Holm; Nørskov, Jens Kehlet.

    In: Catalysis Letters, Vol. 46, No. 1-2, 1997, p. 31.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  293. Published

    Sulfur bonding in MoS2 and Co-Mo-S structures. / Byskov, Line Sjolte; Hammer, Bjørk; Nørskov, Jens Kehlet; Clausen, B.S.; Topsøe, H.

    In: Catalysis Letters, Vol. 47, No. 3-4, 1997, p. 177.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  294. Published

    Surface electronic structure and reactivity of transition and noble metals. / Ruban, Andrei; Hammer, Bjørk; Stoltze, Per; Skriver, Hans Lomholt; Nørskov, Jens Kehlet.

    In: J. Mol. Catal., Vol. A115, 1997, p. 421.

    Publication: Research - peer-review › Journal article – Annual report year: 1997

  295. Published

    Theory of adsorption and surface reactions. / Hammer, Bjørk; Nørskov, Jens Kehlet.

    Kluwer Academic Publishers, 1997.

    Publication: Research - peer-review › Book – Annual report year: 1997

  296. 1996
  297. Published

    A microkinetic analysis of the water-gas shift reaction under industrial conditions. / Ovesen, C.V.; Clausen, B.S.; Hammershøj, B.S.; Steffensen, G.; Askgaard, T.; Chorkendorff, Ib; Nørskov, Jens Kehlet; Rasmussen, P.B.; Stoltze, Per; Taylor, P.

    In: Journal of Catalysis, Vol. 158, No. 1, 1996, p. 170-180.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  298. Published

    Anisotropic corner diffusion as origin for dendritic growth on hexagonal substrates. / Brune, H.; Röder, H.; Bromann, K.; Kern, K.; Jacobsen, Joachim; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 349, No. 1, 1996, p. L115-L122.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  299. Published

    A semi-empirical effective medium theory for metals and alloys. / Jacobsen, Karsten wedel; Stoltze, Per; Nørskov, Jens kehlet.

    In: Surface Science, Vol. 366, No. 2, 1996, p. 394-402.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  300. Published

    A theoretical study of CH4 dissociation on pure and gold-alloyed Ni(111) surfaces. / Kratzer, P.; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 105, No. 13, 1996, p. 5595-5604.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  301. Published

    CO Chemisorption at Metal Surfaces and Overlayers. / Hammer, Bjørk; Morikawa, Y.; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 76, No. 12, 1996, p. 2141-2144.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  302. Published

    Density functional theory study of self-diffusion on the (111) surfaces of Ni, Pd, Pt, Cu, Ag and Au. / Mortensen, Jens jørgen; Hammer, Bjørk; Nielsen, Ole Holm; Jacobsen, Karsten wedel; Nørskov, Jens kehlet.

    In: Springer Series on Solid State Physics, Ed. A. Okiji, Vol. 121, 1996, p. 173.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  303. Published

    Designing surface alloys with specific active sites. / Holmblad, Peter Mikal; Nielsen, Jane Hvolbæk; Chorkendorff, Ib; Nielsen, L.P.; Besenbacher, F.; Stensgaard, I.; Lægsgaard, E.; Kratzer, P.; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Catalysis Letters, Vol. 40, No. 3-4, 1996, p. 131.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  304. Published

    Geometric and electronic factors determining the difference in reactivity of H2 on Cu(110) and Cu(111). / Kratzer, P.; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Surf. Sci., Vol. 359, 1996, p. 45.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  305. Published

    Island shapes in homoepitaxial growth of Pt(111). / Jacobsen, Joachim; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Surface Science, Vol. 359, No. 1-3, 1996, p. 37-44.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  306. Published

    Stability of adsorbed hydrogen on Si(100) under changes of the surface potential. / Kratzer, P.; Hammer, Bjørk; Grey, Hasin Francois D.charnoy; Nørskov, Jens Kehlet.

    In: Surf. Rev. and Lett., Vol. 3, 1996, p. 1227.

    Publication: Research - peer-review › Journal article – Annual report year: 1996

  307. 1995
  308. Published

    Atomic-Scale Determination of Misfit Dislocation Loops at Metal-Metal Interfaces. / Jacobsen, Joachim; Nielsen, L. Pleth; Besenbacher, Flemming; Stensgaard, Ivan; Lægsgaard, Erik; Rasmussen, Torben; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 75, No. 3, 1995, p. 489-492.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  309. Published

    "Dealloying" Phase Separation during Growth of Au on Ni(110). / Nielsen, L. Pleth; Besenbacher, Flemming; Stensgaard, I.; Lægsgaard, E.; Engdahl, C.; Stoltze, Per; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 74, No. 7, 1995, p. 1159-1162.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  310. Published

    Direct pathway for sticking/desorption of H2 on Si(100). / Kratzer, Peter; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 51, No. 19, 1995, p. 13432-13440.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  311. Published

    Effect of strain on surface diffusion and nucleation. / Brune, Harald; Bromann, Karsten; Röder, Holger; Kern, Klaus; Jacobsen, Joachim; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 52, No. 20, 1995, p. 14380-14383.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  312. Published

    Electronic structure, total energies, and STM images of clean and oxygen-covered Al(111). / Jacobsen, Joachim; Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 52, No. 20, 1995, p. 14954-14962.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  313. Published

    Island Shape-Induced Transition from 2D to 3D Growth for Pt/Pt(111). / Jacobsen, Joachim; Jacobsen, Karsten Wedel; Stoltze, Per; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 74, No. 12, 1995, p. 2295-2298.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  314. Published

    Quantized conductance in an atom-sized point-contact - Reply. / Olesen, L.; Laegsgaard, E.; Stensgaard, I.; Besenbacher, Flemming; Schiøtz, Jakob; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 74, No. 11, 1995, p. 2147-2147.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  315. Published

    Quantized conductance in atom-sized wires between two metals. / Brandbyge, Mads; Schiøtz, Jakob; Sørensen, Mads Reinholdt; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Olesen, Laurits Højgaard; Laegsgaard, E.; Stensgaard, I.; Besenbacher, Flemming.

    In: Physical Review B Condensed Matter, Vol. 52, No. 11, 1995, p. 8499-8514.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  316. Published

    Surface stress, surface elasticity, and the size effect in surface segregation. / Schmid, M.; Hofer, W.; Varga, P.; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 51, No. 16, 1995, p. 10937-10946.

    Publication: Research - peer-review › Journal article – Annual report year: 1995

  317. 1994
  318. Published

    Effective-medium tight-binding model for silicon. / Stokbro, Kurt; Chetty, N.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 50, No. 15, 1994, p. 10727-10741.

    Publication: Research - peer-review › Journal article – Annual report year: 1994

  319. Published

    Multidimensional Potential Energy Surface for H2 Dissociation over Cu(111). / Hammer, Bjørk; Scheffler, Matthias; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 73, No. 10, 1994, p. 1400-1403.

    Publication: Research - peer-review › Journal article – Annual report year: 1994

  320. Published

    Quantized conductance in an atom-sized point contact. / Olesen, L.; Laegsgaard, E.; Stensgaard, I.; Besenbacher, Flemming; Schiøtz, Jakob; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 72, No. 14, 1994, p. 2251-2254.

    Publication: Research - peer-review › Journal article – Annual report year: 1994

  321. 1993
  322. Published

    Accommodation and diffusion of Cu deposited on flat and stepped Cu(111) surfaces. / Stoltze, Per; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 48, No. 8, 1993, p. 5607-5611.

    Publication: Research - peer-review › Journal article – Annual report year: 1993

  323. Published

    Initial growth of Au on Ni(110): Surface alloying of immiscible metals. / Nielsen, L. Pleth; Besenbacher, Flemming; Stensgaard, I.; Laegsgaard, E.; Engdahl, C.; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 71, No. 5, 1993, p. 754-757.

    Publication: Research - peer-review › Journal article – Annual report year: 1993

  324. Published

    Role of nonlocal exchange correlation in activated adsorption. / Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 70, No. 25, 1993, p. 3971-3974.

    Publication: Research - peer-review › Journal article – Annual report year: 1993

  325. 1992
  326. Published

    Ab initio potential for solids. / Chetty, N.; Stokbro, Kurt; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 46, No. 7, 1992, p. 3798-3809.

    Publication: Research - peer-review › Journal article – Annual report year: 1992

  327. Published

    Dissociation path for H2 on Al(110). / Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 69, No. 13, 1992, p. 1971-1974.

    Publication: Research - peer-review › Journal article – Annual report year: 1992

  328. Published

    Multidimensional effects in dissociative chemisorption: H2 on Cu and Ni surfaces. / Engdahl, C.; Lundqvist, Bengt; Nielsen, U.; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 45, No. 19, 1992, p. 11362-11365.

    Publication: Research - peer-review › Journal article – Annual report year: 1992

  329. 1991
  330. Published

    Anharmonicity and disorder on the Cu(110) surface. / Ditlevsen, Peter; Stoltze, Per; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 44, No. 23, 1991, p. 13002-13009.

    Publication: Research - peer-review › Journal article – Annual report year: 1991

  331. Published

    Cu cluster shell structure at elevated temperatures. / Christensen, Ole Bøssing; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Manninen, M.

    In: Physical Review Letters, Vol. 66, No. 17, 1991, p. 2219-2222.

    Publication: Research - peer-review › Journal article – Annual report year: 1991

  332. Published

    Self-diffusion on copper surfaces. / Hansen, L.; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 44, No. 12, 1991, p. 6523-6526.

    Publication: Research - peer-review › Journal article – Annual report year: 1991

  333. 1990
  334. Published

    Effective-medium calculations for hydrogen in Ni, Pd, and Pt. / Christensen, Ole Bøssing; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 41, No. 18, 1990, p. 12413-12423.

    Publication: Research - peer-review › Journal article – Annual report year: 1990

  335. Published

    Energies controlling nucleation and growth processes: The case of Ag/W(110). / Jones, G. W.; Marcano, J. M.; Nørskov, Jens Kehlet; Venables, J. A.

    In: Physical Review Letters, Vol. 65, No. 26, 1990, p. 3317-3320.

    Publication: Research - peer-review › Journal article – Annual report year: 1990

  336. Published

    Is there a contraction of the interatomic distance in small metal particles?. / Hansen, Lars Bruno; Stoltze, Per; Nørskov, Jens Kehlet; Clausen, B. S.; Niemann, W.

    In: Physical Review Letters, Vol. 64, No. 26, 1990, p. 3155-3158.

    Publication: Research - peer-review › Journal article – Annual report year: 1990

  337. Published

    Oxygen chemisorption on Cu(110): A model for the c(6×2) structure. / Feidenhans'l, Robert Krarup; Grey, Francois; Nielsen, Mourits; Besenbacher, Flemming; Jensen, F.; Laegsgaard, E.; Stensgaard, I.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Johnson, R. L.

    In: Physical Review Letters, Vol. 65, No. 16, 1990, p. 2027-2030.

    Publication: Research - peer-review › Journal article – Annual report year: 1990

  338. Published

    The dissociative adsorption of hydrogen: Two-, three-, and four-dimensional quantum simulations. / Nielsen, Ulrik; Halstead, David; Holloway, Stephen; Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 93, No. 4, 1990, p. 2879-2884.

    Publication: Research - peer-review › Journal article – Annual report year: 1990

  339. Published

    Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfaces. / Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 65, No. 14, 1990, p. 1788-1791.

    Publication: Research - peer-review › Journal article – Annual report year: 1990

  340. 1989
  341. Published

    Effective medium potentials for molecule-surface interactions: H2 on Cu and Ni surfaces. / Nørskov, Jens Kehlet.

    In: Journal of Chemical Physics, Vol. 90, No. 12, 1989, p. 7461-7471.

    Publication: Research - peer-review › Journal article – Annual report year: 1989

  342. Published

    H-H interactions in Pd. / Christensen, O. B.; Ditlevsen, Peter; Jacobsen, Karsten Wedel; Stoltze, Per; Nielsen, Ole Holm; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 40, No. 3, 1989, p. 1993-1996.

    Publication: Research - peer-review › Journal article – Annual report year: 1989

  343. Published

    Multiple deuterium occupancy of vacancies in Pd and related metals. / Nordlander, P.; Nørskov, Jens Kehlet; Besenbacher, F.; Myers, S. M.

    In: Physical Review B Condensed Matter, Vol. 40, No. 3, 1989, p. 1990-1992.

    Publication: Research - peer-review › Journal article – Annual report year: 1989

  344. 1988
  345. Published

    Disordering and Melting of Aluminum Surfaces. / Stoltze, Per; Nørskov, Jens Kehlet; Landman, U.

    In: Physical Review Letters, Vol. 61, No. 4, 1988, p. 440-443.

    Publication: Research - peer-review › Journal article – Annual report year: 1988

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