Theoretical atomic scale design

  1. 2012
  2. Published

    Oxidative trends of TiO2—hole trapping at anatase and rutile surfaces. / Zawadzki, Pawel; Laursen, Anders B.; Jacobsen, Karsten Wedel; Dahl, Søren; Rossmeisl, Jan.

    In: Energy & Environmental Science, Vol. 5, No. 12, 2012, p. 9866-9869.

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

  3. Published
  4. Published
  5. Published
  6. Published

    Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111). / Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan; Jaramillo, Thomas Francisco; Pitsch, Heinz; Nørskov, Jens K.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 116, No. 7, 2012, p. 4698-4704.

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

  7. Published

    Unifying the 2eand 4e Reduction of Oxygen on Metal Surfaces. / Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens K.

    In: Journal of Physical Chemistry Letters, Vol. 3, No. 20, 2012, p. 2948-2951.

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

  8. Published

    Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces. / Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens K.

    In: A C S Catalysis, Vol. 2, No. 8, 2012, p. 1654-1660.

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

  9. Published

    Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory. / Valdes, Alvaro; Brillet, Jeremie; Graetzel, Michael; Gudmundsdottir, Hildur; Hansen, Heine Anton; Jonsson, Hannes; Kluepfel, Peter; Kroes, Geert-Jan; Le Formal, Florian; Man, Isabela Costinela; Martins, Rafael S.; Norskov, Jens K.; Rossmeisl, Jan; Sivula, Kevin; Vojvodic, Aleksandra; Zäch, Michael.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 1, 2012, p. 49-70.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  10. Published

    Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces. / Tritsaris, G. A.; Rossmeisl, J.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 116, No. 22, 2012, p. 11980-11986.

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

  11. Published

    Metal Oxide-Supported Platinum Overlayers as Proton-Exchange Membrane Fuel Cell Cathodes. / Tripkovic, Vladimir; Abild-Pedersen, Frank; Studt, Felix; Cerri, Isotta; Nagami, Tetsuo; Bligaard, Thomas; Rossmeisl, Jan.

    In: ChemCatChem, Vol. 4, No. 2, 2012, p. 228-235.

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

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