Jens Kehlet Nørskov

  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-reviewJournal 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: ResearchPh.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-reviewPoster – Annual report year: 2012

  5. Published
  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-reviewJournal 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: ResearchPh.D. thesis – Annual report year: 2011

  9. Published
  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-reviewJournal article – Annual report year: 2011

  11. Published
  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-reviewJournal 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-reviewJournal article – Annual report year: 2011

  14. Published
  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-reviewJournal article – Annual report year: 2011

  16. Published
  17. Published
  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-reviewJournal article – Annual report year: 2011

  19. Published
  20. Published
  21. Published
  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-reviewJournal article – Annual report year: 2011

  23. Published
  24. Published
  25. Published
  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: ResearchPh.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: ResearchPh.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: ResearchPh.D. thesis – Annual report year: 2010

  30. Published
  31. Published
  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-reviewJournal 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-reviewJournal article – Annual report year: 2010

  34. Published
  35. Published

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

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

    Publication: Research - peer-reviewJournal article – Annual report year: 2010

  36. Published
  37. Published
  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-reviewJournal article – Annual report year: 2010

  39. Published
  40. Published
  41. Published
  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: ResearchPh.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: ResearchPh.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: ResearchPh.D. thesis – Annual report year: 2009

  46. Published
  47. Published
  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-reviewJournal 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-reviewJournal 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-reviewJournal article – Annual report year: 2009

  51. Published
  52. Published
  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-reviewJournal 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-reviewJournal 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.

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

    Publication: Research - peer-reviewConference 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-reviewJournal article – Annual report year: 2009

  57. Published
  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-reviewJournal 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-reviewJournal 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-reviewJournal 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-reviewJournal 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-reviewJournal 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-reviewJournal article – Annual report year: 2009

  64. Published
  65. 2008
  66. Published
  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: ResearchPh.D. thesis – Annual report year: 2008

  68. Published

    Ammonia as a Hydrogen Storage Medium. / Klerke, Asbjørn; Sørensen, Rasmus Zink; Nørskov, Jens Kehlet; Vegge, Tejs; Christensen, Claus H.

    2008. Poster session presented at 2nd EuCheMS Chemistry Congress, Torino, Italy.

    Publication: Research - peer-reviewPoster – Annual report year: 2008

  69. 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-reviewJournal article – Annual report year: 2008

  70. 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-reviewJournal article – Annual report year: 2008

  71. Published
  72. 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-reviewConference abstract in journal – Annual report year: 2008

  73. Published
  74. Published
  75. 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-reviewConference abstract in journal – Annual report year: 2008

  76. Published

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

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

    Publication: Research - peer-reviewBook chapter – Annual report year: 2008

  77. 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-reviewJournal article – Annual report year: 2008

  78. Published
  79. Published

    Indirect Hydrogen storage in Metal Amine Complexes for Portable Devises. / Asbjørn, K.; Sørensen, Rasmus Zink; Nørskov, Jens Kehlet; Christensen, Claus H.

    2008. Abstract from Fuel Cells Science and Technology 2008, Copenhagen, Denmark.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2008

  80. 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.

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

    Publication: Research - peer-reviewBook chapter – Annual report year: 2008

  81. Published
  82. Published
  83. 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-reviewJournal article – Annual report year: 2008

  84. Published
  85. 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-reviewJournal article – Annual report year: 2008

  86. 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-reviewJournal article – Annual report year: 2008

  87. 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-reviewJournal article – Annual report year: 2008

  88. Published
  89. 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-reviewJournal article – Annual report year: 2008

  90. Published
  91. 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-reviewJournal article – Annual report year: 2008

  92. Published
  93. Published
  94. Published

    Trends in catalytic CO oxidation activity of nanoparticles. / Larsen, Britt Hvolbæk; Falsig, Hanne; Kristensen, I.S.; Jiang, T.; Bligaard, Thomas ; Christensen, Claus H.; Nørskov, Jens Kehlet.

    2008. Abstract from Catalysis for Society, Cracow, Poland.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2008

  95. Published
  96. Published

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

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

    Publication: Research - peer-reviewBook chapter – Annual report year: 2008

  97. Published
  98. 2007
  99. Published

    A Safe Way to Supply Ammonia in Mobile SCR-DeNOx. / Klerke, Asbjørn; Sørensen, Rasmus Zink; Nørskov, Jens Kehlet; Elmøe, Tobias Dokkedal; Johannessen, Tue; Christensen, Claus H.

    2007. Poster session presented at From Agenda to Action, Palo Alto, CA, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  100. 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-reviewJournal article – Annual report year: 2007

  101. Published

    Coal-to-Gas: New Methanation Catalysts Discovered by Combining Computational and Experimental Methods. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at 3rd International Conference on Green and Sustainable Chemistry, Delft, Netherlands.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  102. Published
  103. Published

    Compact and safe hydrogen storage in solid metal ammines. / Sørensen, Rasmus Zink; Klerke, Asbjørn; Reves, J.B.; Quaade, Ulrich; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Abstract from Future Energy: Chemical Solutions, Nottingham, United Kingdom.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  104. Published

    Compact Hydrogen Production from Ammonia Stored in Solid Metal Ammines. / Klerke, Asbjørn; Sørensen, Rasmus Zink; Christensen, Claus H.; Quaade, Ulrich; Nørskov, Jens Kehlet.

    2007. Abstract from World Hydrogen Technologies Convention 2007, Montecatini Terme, Italy.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  105. 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-reviewJournal article – Annual report year: 2007

  106. Published
  107. 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-reviewConference article – Annual report year: 2007

  108. Published

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

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

    Publication: Research - peer-reviewConference abstract in proceedings – Annual report year: 2007

  109. Published
  110. 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-reviewJournal article – Annual report year: 2007

  111. Published

    Discovery and Development of Alloy Catalysts for Methanation by Combining Computational Screening and Experimental Methods. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Abstract from European Conference on Combinational Catalytical Research and High-Throughput Technologies, Bari, Italy.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  112. 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-reviewJournal article – Annual report year: 2007

  113. 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-reviewJournal article – Annual report year: 2007

  114. 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-reviewJournal article – Annual report year: 2007

  115. Published
  116. Published

    Gold Catalysis: A theoretical approach. / Falsig, Hanne; Larsen, Britt Hvolbæk; Bligaard, Thomas ; Christensen, Claus H.; Nørskov, Jens Kehlet.

    2007. Abstract from 233rd ACS National Meeting, Chicago, IL, United States.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  117. Published

    Hydrogen Storage in Metal Ammines : State-of-the-art Storage in Compact Solids. / Sørensen, Rasmus Zink; Klerke, Asbjørn; Nørskov, Jens Kehlet; Reves, J.B.; Johannessen, Tue; Christensen, Claus H.

    2007. Poster session presented at From Agenda to Action, Palo Alto, CA, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  118. Published

    Indirect, Reversible High-Density Hydrogen Storage in Compact Metal Ammine Salts. / Hummelshøj, J.; Sørensen, Rasmus Zink; Klerke, Asbjørn; Reves, J.B.; Vegge, Tejs; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at International symposium on materials issues in a hydrogen economy, Richmond, Virginia, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  119. 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-reviewJournal article – Annual report year: 2007

  120. Published

    Investigation of New Methanation Catalysts Discovered by Combining Computational and Experimental Studies. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at 8th European Congress on Catalysis, Turku, Finland.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  121. 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-reviewJournal article – Annual report year: 2007

  122. 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-reviewJournal article – Annual report year: 2007

  123. 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-reviewJournal article – Annual report year: 2007

  124. Published

    Methanation: Optimization of an Industrial Important Process. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at Summer School, Sandbjerg, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  125. Published

    Methanisering: På vej til nye katalysatorer ved kombination af computerberegninger og eksperimenter. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at Årsmøde i Kemisk Forening, Odense, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  126. Published

    Miniaturized Hydrogen Production by Decomposition of Ammonia Stored in Metal Ammines. / Christensen, Claus H.; Sørensen, Rasmus Zink; Klerke, Asbjørn; Quaade, Ulrich; Nørskov, Jens Kehlet.

    2007. Poster session presented at 20th North American Catalysis Society Meeting (NACS), Houston, TX, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  127. Published

    Modeling Fischer Tropsch Catalysis : CxHy, Species On Ru{1 0 -1 5}. / Jones, Glenn; Anderson, M.P.; Bligaard, Thomas ; Christensen, Claus H.; Nørskov, Jens Kehlet.

    2007. Abstract from 8th European Congress on Catalysis, Turku, Finland.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  128. Published

    Novel Methanation Catalysts Discovered by Computational Screening. / Frey, Anne Mette; Christensen, Claus H.; Kustov, Arkadii ; Larsen, K.E.; Sehested, Jens; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet.

    2007. Abstract from 20th North American Catalysis Society Meeting (NACS), Houston, TX, United States.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  129. Published
  130. 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-reviewJournal article – Annual report year: 2007

  131. Published

    State-Of-The-Art Indirect Hydrogen Storage In Metal Ammines. / Christensen, Claus H.; Sørensen, Rasmus Zink; Klerke, Asbjørn; Quaade, Ulrich; Nørskov, Jens Kehlet.

    2007. Abstract from 8th European Congress on Catalysis, Turku, Finland.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  132. 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-reviewJournal article – Annual report year: 2007

  133. Published
  134. Published

    Towards high density hydrogen storage - a safe route to the ammonia-mediated hydrogen economy. / Sørensen, Rasmus Zink; Klerke, Asbjørn; Reves, J.B.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at 3rd International Conference on Green and Sustainable Chemistry, Delft, Netherlands.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  135. Published

    Trends in Catalytic CO Oxidation on Different Metal Nanoparticles. / Falsig, Hanne; Larsen, B.H.; Kristensen, I.S.; Bligaard, Thomas ; Christensen, Claus H.; Nørskov, Jens Kehlet.

    2007. Abstract from 8th European Congress on Catalysis, Turku, Finland.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2007

  136. Published
  137. 2006
  138. 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-reviewJournal article – Annual report year: 2006

  139. Published
  140. 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: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 110, 2006, p. 21833.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  141. Published

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

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

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  142. 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-reviewJournal article – Annual report year: 2006

  143. 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-reviewEditorial – Annual report year: 2006

  144. Published
  145. Published
  146. Published

    Computer-assisted search for new ammonia synthesis catalyst. / Munter, T.R.; Bligaard, Thomas ; Greeley, Jeffrey Philip; Nørskov, Jens Kehlet; Christensen, Claus H.

    2006. Poster session presented at 12th Nordic Symposium on Catalysis, Trondheim, Norway.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  147. Published

    CO-removal from Biohydrogen Produced by Steam Reforming : Discovery of New Catalysts Based on Fundamental Insight. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2006. Poster session presented at 1st International IUPAC Conference on Green-Sustainable Chemistry, Dresden, Germany.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  148. 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-reviewJournal article – Annual report year: 2006

  149. Published

    Discovery of New Technical Methanation Catalysts Based on Computational Screening. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2006. Abstract from 12th Nordic Symposium on Catalysis, Trondheim, Norway.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2006

  150. Published
  151. Published

    Electronic-Structure-Based Design of Ordered Alloys. / Bligaard, Thomas ; Andersson, M.P.; Jacobsen, Karsten Wedel; Skriver, Hans Lomholt; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: M R S Bulletin, Vol. 31, No. 12, 2006, p. 986-990.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  152. 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-reviewJournal article – Annual report year: 2006

  153. Published
  154. 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-reviewJournal article – Annual report year: 2006

  155. 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-reviewConference article – Annual report year: 2006

  156. Published

    Integrated Micro System for Controlled Delivery of Hydrogen from Metal Ammines. / Sørensen, Rasmus Zink; Klerke, Asbjørn; Quaade, Ulrich; Jensen, S.; Hansen, O.; Johannessen, Tue; Nørskov, Jens Kehlet; Christensen, Claus H.

    2006. Abstract from 2006 AIChE Spring National Meeting, Orlando, FL, United States.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2006

  157. Published
  158. Published

    Metal ammines as ammonia storage for SCR. / Sørensen, Rasmus Zink; Elmøe, Tobias Dokkedal; Quaade, Ulrich; Nørskov, Jens Kehlet; Johannessen, Tue; Christensen, Claus H.

    2006. Poster session presented at Kemisk Forenings Årsmøde, Odense, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  159. 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-reviewJournal article – Annual report year: 2006

  160. Published

    New Methanation Catalysts: From Computational Screening Towards Industrial Use. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2006. Poster session presented at Surface reactivity and Nanocatalysis Summer School, Ebeltoft, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  161. Published

    NH3 desorption from dense bodies of Mg(NH3)6Cl2 facilitated by generation of nanopores. / Sørensen, Rasmus Zink; Hummelshøj, Jens Strabo; Kustova, Marina; Nørskov, Jens Kehlet; Johannessen, Tue; Christensen, Claus H.

    2006. Poster session presented at Surface reactivity and Nanocatalysis Summer School, Ebeltoft, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  162. Published

    Opdagelse af nye katalysatorer til methanisering. / Frey, Anne Mette; Sehested, Jens; Larsen, K.E.; Kustov, Arkadii ; Johannessen, Tue; Bligaard, Thomas ; Andersson, M.P.; Nørskov, Jens Kehlet; Christensen, Claus H.

    2006. Poster session presented at Kemisk Forenings Årsmøde, Odense, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  163. Published

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

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

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2006

  164. Published

    Pareto-optimal methanation catalysts. / Andersson, M.P.; Bligaard, Thomas ; Larsen, K.E.; Greeley, Jeffrey Philip; Johannessen, Tue; Nørskov, Jens Kehlet; Kustov, Arkadii ; Christensen, Claus H.

    2006. Poster session presented at 12th Nordic Symposium on Catalysis, Trondheim, Norway.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  165. Published

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

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

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  166. 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: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 110, No. 36, 2006, p. 17719-17735.

    Publication: Research - peer-reviewReview – Annual report year: 2006

  167. 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-reviewJournal article – Annual report year: 2006

  168. 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-reviewEditorial – Annual report year: 2006

  169. Published

    Simple and safe NH3 delivery for mobile SCR-DeNOx using Mg(NH3)6Cl2. / Sørensen, Rasmus Zink; Elmøe, Tobias Dokkedal; Quaade, Ulrich; Nørskov, Jens Kehlet; Johannessen, Tue; Christensen, Claus H.

    2006. Poster session presented at 1st International IUPAC Conference on Green-Sustainable Chemistry, Dresden, Germany.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  170. Published

    Simulated decomposition of Mg(NH3)6Cl2. / Hummelshøj, Jens Strabo; Sørensen, Rasmus Zink; Kustova, Marina; Johannessen, Tue; Nørskov, Jens Kehlet; Christensen, Claus H.; Vegge, Tejs.

    2006. Poster session presented at Nano-consortium kick-off meeting, Copenhagen, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  171. 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-reviewEditorial – Annual report year: 2006

  172. 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-reviewJournal article – Annual report year: 2006

  173. 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-reviewLetter – Annual report year: 2006

  174. Published

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

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

    Publication: Research - peer-reviewConference abstract in proceedings – Annual report year: 2006

  175. Published
  176. 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-reviewConference article – Annual report year: 2006

  177. Published

    Trends in Catalytic NO decomposition : A Combined Experimental and Theoretical Study. / Falsig, Hanne; Bligaard, Thomas ; Kustov, Arkadii ; Christensen, Claus H.; Nørskov, Jens Kehlet.

    2006. Poster session presented at 1st International IUPAC Conference on Green-Sustainable Chemistry, Dresden, Germany.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  178. Published

    Trends in Catalytic NO Decomposition over Transition Metal Surfaces. / Falsig, Hanne; Bligaard, Thomas ; Kustov, Arkadii ; Hansen, Jeppe Rass; Christensen, Claus H.; Nørskov, Jens Kehlet.

    2006. Abstract from 12th Nordic Symposium on Catalysis, Trondheim, Norway.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2006

  179. Published

    Volcano curve for NO decomposition on transition metal surfaces. / Falsig, Hanne; Hansen, Jeppe Rass; Kustov, Arkadii ; Christensen, Claus H.; Bligaard, Thomas ; Nørskov, Jens Kehlet.

    2006. Poster session presented at Nano-consortium kick-off meeting, Copenhagen, Denmark.

    Publication: Research - peer-reviewPoster – Annual report year: 2006

  180. 2005
  181. Published
  182. 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-reviewJournal article – Annual report year: 2005

  183. 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-reviewConference abstract in journal – Annual report year: 2005

  184. 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-reviewJournal article – Annual report year: 2005

  185. 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-reviewJournal article – Annual report year: 2005

  186. Published
  187. 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-reviewConference abstract in journal – Annual report year: 2005

  188. 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-reviewJournal article – Annual report year: 2005

  189. Published
  190. 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-reviewJournal article – Annual report year: 2005

  191. 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-reviewJournal article – Annual report year: 2005

  192. 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-reviewJournal article – Annual report year: 2005

  193. Published

    High-density storage of hydrogen in metal ammine complexes. / Johannessen, Tue; Sørensen, Rasmus Zink; Christensen, Claus H.; Elmøe, Tobias Dokkedal; Quaade, Ulrich; Nørskov, Jens Kehlet.

    2005. Poster session presented at International Hydrogen Storage Conference (IPHE), Lucca , Italy.

    Publication: Research - peer-reviewPoster – Annual report year: 2005

  194. Published

    Metal ammine complexes for high-density storage of hydrogen : Bridging the hydrogen and ammonia economy. / Johannessen, Tue; Sørensen, Rasmus Zink; Christensen, Claus H.; Quaade, Ulrich; Nørskov, Jens Kehlet.

    2005. Abstract from 2nd European Hydrogen Energy Conference, Zaragoza, Spain.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2005

  195. Published
  196. Published

    Metal ammines for efficient hydrogen storage : Towards an ammonia-based hydrogen economy. / Johannessen, Tue; Christensen, Claus H.; Sørensen, Rasmus Zink; Quaade, Ulrich; Nørskov, Jens Kehlet.

    2005. Abstract from 7th World Congress of Chemical Engineering, Glasgow, United Kingdom.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2005

  197. 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-reviewJournal article – Annual report year: 2005

  198. Published
  199. 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-reviewLetter – Annual report year: 2005

  200. 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-reviewConference abstract in journal – Annual report year: 2005

  201. 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: ResearchJournal article – Annual report year: 2005

  202. 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-reviewJournal article – Annual report year: 2005

  203. 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-reviewJournal article – Annual report year: 2005

  204. 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-reviewJournal article – Annual report year: 2005

  205. 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: Journal of Alloys and Compounds, Vol. 386, 2005, p. 1-7.

    Publication: Research - peer-reviewJournal article – Annual report year: 2005

  206. 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-reviewJournal article – Annual report year: 2005

  207. 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-reviewJournal article – Annual report year: 2005

  208. 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-reviewJournal article – Annual report year: 2005

  209. 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-reviewJournal article – Annual report year: 2005

  210. 2004
  211. 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-reviewJournal article – Annual report year: 2004

  212. 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-reviewJournal article – Annual report year: 2004

  213. 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-reviewJournal article – Annual report year: 2004

  214. Published

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

    In: American Chemical Society. Journal, Vol. 126, 2004, p. 3920-3927.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  215. 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-reviewJournal article – Annual report year: 2004

  216. Published
  217. Published

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

    In: American Chemical Society. Journal, Vol. 126, 2004, p. 13140-13143.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  218. 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: Journal of Catalysis, Vol. 224, 2004, p. 94-106.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  219. 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-reviewJournal article – Annual report year: 2004

  220. 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-reviewJournal article – Annual report year: 2004

  221. 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: Journal of Catalysis, Vol. 223, 2004, p. 232-235.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  222. 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: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 108, 2004, p. 17886-17892.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  223. 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-reviewJournal article – Annual report year: 2004

  224. 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: Journal of Catalysis, Vol. 223, 2004, p. 432-443.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  225. 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-reviewJournal article – Annual report year: 2004

  226. 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-reviewJournal article – Annual report year: 2004

  227. 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: Journal of Catalysis, Vol. 225, 2004, p. 86-94.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  228. 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: Journal of Catalysis, Vol. 224, 2004, p. 206-217.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  229. 2003
  230. Published

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

    In: Materialenyt 2, 2003.

    Publication: CommunicationJournal article – Annual report year: 2003

  231. 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-reviewJournal article – Annual report year: 2003

  232. 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-reviewJournal article – Annual report year: 2003

  233. 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-reviewJournal article – Annual report year: 2003

  234. 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-reviewJournal article – Annual report year: 2003

  235. 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-reviewJournal article – Annual report year: 2003

  236. 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-reviewJournal article – Annual report year: 2003

  237. 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-reviewJournal article – Annual report year: 2003

  238. 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-reviewJournal article – Annual report year: 2003

  239. 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-reviewJournal article – Annual report year: 2003

  240. 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-reviewJournal article – Annual report year: 2003

  241. 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-reviewJournal article – Annual report year: 2003

  242. 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-reviewJournal article – Annual report year: 2003

  243. 2002
  244. 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-reviewJournal article – Annual report year: 2002

  245. Published

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

    Patent No.: WO2002082566. Oct 17, 2002.

    Publication: ResearchPatent – Annual report year: 2002

  246. 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-reviewJournal article – Annual report year: 2002

  247. 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-reviewJournal article – Annual report year: 2002

  248. Published
  249. Published

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

    Annual Reviews of Physical Chemistry. Vol. 53 2002.

    Publication: Research - peer-reviewBook chapter – Annual report year: 2002

  250. Published

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

    Advances in Catalysis. Vol. 47 2002.

    Publication: Research - peer-reviewBook chapter – Annual report year: 2002

  251. 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-reviewJournal article – Annual report year: 2002

  252. 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-reviewJournal article – Annual report year: 2002

  253. 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-reviewJournal article – Annual report year: 2002

  254. 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-reviewJournal article – Annual report year: 2002

  255. 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-reviewJournal article – Annual report year: 2002

  256. 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-reviewJournal article – Annual report year: 2002

  257. Published

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

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

    Publication: Research - peer-reviewBook chapter – Annual report year: 2002

  258. 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-reviewJournal article – Annual report year: 2002

  259. 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-reviewJournal article – Annual report year: 2002

  260. Published
  261. 2001
  262. 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-reviewJournal article – Annual report year: 2001

  263. 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-reviewJournal article – Annual report year: 2001

  264. Published
  265. Published

    Catalysis frozen in time. / Nørskov, Jens Kehlet.

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

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  266. 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-reviewJournal article – Annual report year: 2001

  267. 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-reviewJournal article – Annual report year: 2001

  268. 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-reviewJournal article – Annual report year: 2001

  269. 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-reviewJournal article – Annual report year: 2001

  270. 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-reviewJournal article – Annual report year: 2001

  271. 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-reviewJournal article – Annual report year: 2001

  272. 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-reviewJournal article – Annual report year: 2001

  273. 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-reviewJournal article – Annual report year: 2001

  274. Published

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

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 105, 2001, p. 5450.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  275. 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-reviewJournal article – Annual report year: 2001

  276. 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-reviewJournal article – Annual report year: 2001

  277. 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: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 105, 2001, p. 4018.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  278. 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-reviewJournal article – Annual report year: 2001

  279. 2000
  280. 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: American Chemical Society. Journal, Vol. 122, 2000, p. 4129.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  281. 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-reviewJournal article – Annual report year: 2000

  282. 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-reviewJournal article – Annual report year: 2000

  283. 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-reviewJournal article – Annual report year: 2000

  284. 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-reviewJournal article – Annual report year: 2000

  285. 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-reviewJournal article – Annual report year: 2000

  286. 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-reviewJournal article – Annual report year: 2001

  287. 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-reviewJournal article – Annual report year: 2000

  288. Published
  289. 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-reviewJournal article – Annual report year: 2000

  290. 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-reviewJournal article – Annual report year: 2000

  291. Published

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

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

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  292. 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: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 104, 2000, p. 2299.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  293. 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: Journal of Catalysis, Vol. 189, 2000, p. 16.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  294. 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-reviewJournal article – Annual report year: 2000

  295. 1999
  296. Published

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

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

    Publication: Research - peer-reviewBook chapter – Annual report year: 1999

  297. Published

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

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

    Publication: Research - peer-reviewArticle in proceedings – Annual report year: 1999

  298. 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-reviewJournal article – Annual report year: 1999

  299. Published

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

    In: Journal of Catalysis, Vol. 187, 1999, p. 109.

    Publication: Research - peer-reviewJournal article – Annual report year: 1999

  300. 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-reviewJournal article – Annual report year: 1999

  301. 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-reviewJournal article – Annual report year: 1999

  302. Published
  303. 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-reviewJournal article – Annual report year: 1999

  304. 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-reviewJournal article – Annual report year: 1999

  305. 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-reviewJournal article – Annual report year: 1999

  306. 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-reviewJournal article – Annual report year: 1999

  307. 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-reviewJournal article – Annual report year: 1999

  308. 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-reviewJournal article – Annual report year: 1999

  309. 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-reviewJournal article – Annual report year: 1999

  310. 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-reviewJournal article – Annual report year: 1999

  311. 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-reviewJournal article – Annual report year: 1999

  312. 1998
  313. 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: ResearchPh.D. thesis – Annual report year: 1998

  314. 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-reviewJournal article – Annual report year: 1998

  315. 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-reviewJournal article – Annual report year: 1998

  316. 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-reviewJournal article – Annual report year: 1998

  317. 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-reviewJournal article – Annual report year: 1998

  318. 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).

    American Chemical Society Symposium Series. 1998.

    Publication: Research - peer-reviewArticle in proceedings – Annual report year: 1998

  319. 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-reviewJournal article – Annual report year: 1998

  320. 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).

    Transition Metal Sulphides. Kluwer Academic Press, 1998.

    Publication: Research - peer-reviewArticle in proceedings – Annual report year: 1998

  321. 1997
  322. 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-reviewJournal article – Annual report year: 1997

  323. 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-reviewJournal article – Annual report year: 1997

  324. 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-reviewJournal article – Annual report year: 1997

  325. 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-reviewJournal article – Annual report year: 1997

  326. 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: Journal of Catalysis, Vol. 169, 1997, p. 85.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  327. 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-reviewJournal article – Annual report year: 1997

  328. 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: Journal of Catalysis, Vol. 168, 1997, p. 133.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  329. Published
  330. 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-reviewJournal article – Annual report year: 1997

  331. 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-reviewJournal article – Annual report year: 1997

  332. 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-reviewJournal article – Annual report year: 1997

  333. 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-reviewJournal article – Annual report year: 1997

  334. Published

    Theory of adsorption and surface reactions. / Hammer, Bjørk; Nørskov, Jens Kehlet.

    Kluwer Academic Publishers, 1997.

    Publication: Research - peer-reviewBook – Annual report year: 1997

  335. 1996
  336. 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-reviewJournal article – Annual report year: 1996

  337. 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-reviewJournal article – Annual report year: 1996

  338. 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-reviewJournal article – Annual report year: 1996

  339. 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-reviewJournal article – Annual report year: 1996

  340. 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-reviewJournal article – Annual report year: 1996

  341. Published
  342. 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-reviewJournal article – Annual report year: 1996

  343. 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-reviewJournal article – Annual report year: 1996

  344. 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-reviewJournal article – Annual report year: 1996

  345. 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-reviewJournal article – Annual report year: 1996

  346. 1995
  347. 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-reviewJournal article – Annual report year: 1995

  348. 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-reviewJournal article – Annual report year: 1995

  349. 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-reviewJournal article – Annual report year: 1995

  350. 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-reviewJournal article – Annual report year: 1995

  351. Published
  352. 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-reviewJournal article – Annual report year: 1995

  353. 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-reviewJournal article – Annual report year: 1995

  354. Published
  355. 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-reviewJournal article – Annual report year: 1995

  356. 1994
  357. 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-reviewJournal article – Annual report year: 1994

  358. 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-reviewJournal article – Annual report year: 1994

  359. 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-reviewJournal article – Annual report year: 1994

  360. 1993
  361. 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-reviewJournal article – Annual report year: 1993

  362. 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-reviewJournal article – Annual report year: 1993

  363. 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-reviewJournal article – Annual report year: 1993

  364. 1992
  365. 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-reviewJournal article – Annual report year: 1992

  366. 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-reviewJournal article – Annual report year: 1992

  367. 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-reviewJournal article – Annual report year: 1992

  368. 1991
  369. 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-reviewJournal article – Annual report year: 1991

  370. 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-reviewJournal article – Annual report year: 1991

  371. 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-reviewJournal article – Annual report year: 1991

  372. 1990
  373. 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-reviewJournal article – Annual report year: 1990

  374. 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-reviewJournal article – Annual report year: 1990

  375. 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-reviewJournal article – Annual report year: 1990

  376. 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-reviewJournal article – Annual report year: 1990

  377. 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-reviewJournal article – Annual report year: 1990

  378. 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-reviewJournal article – Annual report year: 1990

  379. 1989
  380. 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-reviewJournal article – Annual report year: 1989

  381. 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-reviewJournal article – Annual report year: 1989

  382. 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-reviewJournal article – Annual report year: 1989

  383. 1988
  384. 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-reviewJournal article – Annual report year: 1988

Download list:
Download as PDF
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
PDF
Download as HTML
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
HTML
Download as Word
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
Word