Fast Prediction of CO Binding Energy via the Local Structure Effect on PtCu Alloy Surfaces
作者： Zhi-Jian Zhao , Rentao Mu , Xiaohui Wang , Jinlong Gong
DOI: 10.1021/ACS.LANGMUIR.7B00788
关键词: Alloy 、 Density functional theory 、 Chemical physics 、 Catalysis 、 Computational chemistry 、 Empirical formula 、 Population 、 Antibonding molecular orbital 、 Coordination number 、 Crystal 、 Chemistry
摘要: … In polymer electrolyte fuel cells, Pt serves as an anode that catalyzes the hydrogen oxidation … Four different Pt/Cu mole ratios in the PtCu alloy were considered in this study, including …
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