Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value

Yudanov, I. V.; Genest, A.; Schauermann, S.; Freund, H. J.; Rosch, N.

doi:10.1021/nl300515z

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Document type:: Journal Article
Author(s):: Yudanov, I. V.; Genest, A.; Schauermann, S.; Freund, H. J.; Rosch, N.
Title:: Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value
Abstract:: With a density functional theory method, we studied computationally the size dependence of adsorption properties of metal nanoparticles for CO as a probe on Pd-n clusters with
Congress title:: ISI Document Delivery No.: 922CO Times Cited: 10 Cited Reference Count: 40 Yudanov, Ilya V. Genest, Alexander Schauermann, Swetlana Freund, Hans-Joachim Roesch, Notker Deutsche Forschungsgemeinschaft; Fonds der Chemischen Industrie (Germany); Russian Foundation for Basic Research; Siberian Branch of the Russian Academy of Sciences This work was supported by Deutsche Forschungsgemeinschaft, Fonds der Chemischen Industrie (Germany), the Russian Foundation for Basic Research, and the Interdisciplinary Programme of the Siberian Branch of the Russian Academy of Sciences. A.G. and N.R. acknowledge generous computing resources at Leibniz Rechenzentrum Munchen. 10 Amer chemical soc Washington «
ISI Document Delivery No.: 922CO Times Cited: 10 Cited Reference Count: 40 Yudanov, Ilya V. Genest, Alexander Schauermann, Swetlana Freund, Hans-Joachim Roesch, Notker Deutsche Forschungsgemeinschaft; Fonds der Chemischen Industrie (Germany); Russian Foundation for Basic Research; Siberian Branch of the Russian Academy of Sciences This work was supported by Deutsche Forschungsgemeinschaft, Fonds der Chemischen Industrie (Germany), the Russian Foundation for Basic Research, and the Interdiscip... »
Journal title:: Nano Letters
Year:: 2012
Journal volume:: 12
Journal issue:: 4
Pages contribution:: 2134-2139
Fulltext / DOI:: doi:10.1021/nl300515z
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