期刊
CHEMICAL PHYSICS LETTERS
卷 648, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.cplett.2016.01.031
关键词
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资金
- NRF - MSIP, Korea [2009-0082471, 2014R1A2A2A04003865]
- Convergence Agenda Program (CAP) of the Korea Research Council of Fundamental Science and Technology (KRCF)
- Indo-Korea Institute of Science and Technology (IKST)
Adsorption of a molecule or group with an atom which is less electronegative than oxygen (0) and directly interacting with the surface is very relevant to development of PtM (M = 3d-transition metal) catalysts with high activity. Here, we present theoretical analysis of the adsorption of NH3 molecule (N being less electronegative than 0) on (111) surfaces of PtM (Fe, Co, Ni) alloys using the first principles density functional approach. We find that, while NH3-Pt interaction is stronger than that of NH3 with the elemental M-surfaces, it is weaker than the strength of interaction of NH3 with M-site on the surface of PtM alloy. (C) 2016 Published by Elsevier B.V.
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