Center for Atomic-scale Materials Design

  1. 2010
  2. Published

    DFT modelling of oxide materials for hydrogen permeable membranes. / Bork, Nicolai Christian; Vegge, Tejs (Supervisor); Bonanos, Nikolaos (Supervisor); Rossmeisl, Jan (Supervisor).

    Roskilde : Risø National Laboratory for Sustainable Energy, Technical University of Denmark, 2010.

    Publication: ResearchPh.D. thesis – Annual report year: 2010

  3. 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, Thomas; 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

  4. 2011
  5. Published
  6. 2012
  7. Published

    Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts. / Peterson, Andrew; Nørskov, Jens K.

    In: Journal of Physical Chemistry Letters, Vol. 3, No. 2, 2012, p. 251-258.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  8. Published

    Bifunctional anode catalysts for direct methanol fuel cells. / Rossmeisl, Jan; Ferrin, Peter; Tritsaris, Georgios; Nilekar, Anand Udaykumar; Koh, Shirlaine; Bae, Sang Eun; Brankovic, Stanko R.; Strasser, Peter; Mavrikakis, Manos.

    In: Energy & Environmental Science, Vol. 5, No. 8, 2012, p. 8335-8342.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  9. Published

    Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. / Su, Hai-Yan; Gorlin, Yelena; Man, Isabela Costinela; Vallejo, Federico Calle; Nørskov, Jens K.; Jaramillo, Thomas F.; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 40, 2012, p. 14010-14022.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  10. Published
  11. Published

    Resolving the stability and structure of strontium chloride amines from equilibrium pressures, XRD and DFT. / Lysgaard, Steen; Ammitzbøll, Andreas L. ; Johnsen, Rune; Norby, Poul; Quaade, Ulrich J.; Vegge, Tejs.

    In: International Journal of Hydrogen Energy, Vol. 37, No. 24, 2012, p. 18927-18936.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  12. 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

  13. 2013
  14. Published
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