Theoretical atomic scale design
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Understanding the electrocatalysis of oxygen reduction on platinum and its alloys. / Stephens, Ifan E. L.; Bondarenko, Alexander S.; Grønbjerg, Ulrik; Vej-Hansen, Ulrik Grønbjerg; Rossmeisl, Jan; Chorkendorff, Ib.
In: Energy & Environmental Science, Vol. 5, No. 5, 2012, p. 6744-6762.Publication: Research - peer-review › Journal article – Annual report year: 2012
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Image-charge-induced localization of molecular orbitals at metal-molecule interfaces : Self-consistent GW calculations. / Strange, M.; Thygesen, K. S.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 19, 2012, p. 195121.Publication: Research - peer-review › Journal article – Annual report year: 2012
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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-review › Journal article – Annual report year: 2012
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Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps. / Tison, Yann; Nielsen, Kenneth; Mowbray, Duncan J.; Bech, Lone; Holse, Christian; Vallejo, Federico Calle; Andersen, Kirsten; Mortensen, Jens J.; Jacobsen, Karsten W.; Nielsen, Jane H.
In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 116, No. 27, 2012, p. 14350-14359.Publication: Research - peer-review › Journal article – Annual report year: 2012
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Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces. / Toftelund, Anja; Man, Isabela C.; Hansen, Heine A.; Abild-Pedersen, Frank; Bligaard, Thomas; Rossmeisl, Jan; Studt, Felix.
In: ChemCatChem, Vol. 4, No. 11, 2012, p. 1856-1861.Publication: Research - peer-review › Journal article – Annual report year: 2012
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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-review › Journal article – Annual report year: 2012
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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-review › Journal article – Annual report year: 2012
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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-review › Journal article – Annual report year: 2011
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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-review › Journal article – Annual report year: 2012
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Unifying the 2e– and 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-review › Journal article – Annual report year: 2012