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

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