Origins for the Synergetic Effects of AuCu3 in Catalysis for Oxygen   Reduction Reaction

doi:10.1021/jp510108r

CORC > 北京大学 > 工学院

	Origins for the Synergetic Effects of AuCu3 in Catalysis for Oxygen Reduction Reaction
	Zhang, Nanlin ; Yan, Huijun ; Chen, Xin ; An, Li ; Xia, Zhonghong ; Xia, Dingguo
刊名	journal of physical chemistry c
	2015
关键词	DENSITY-FUNCTIONAL THEORY MOLECULAR PRECURSORS METHANOL OXIDATION PT(111) SURFACE ADSORPTION O-2 CO ELECTROCATALYSTS DISSOCIATION SHELL
DOI	10.1021/jp510108r
英文摘要	Bimetallic catalysts exhibit a promising prospect as potential alternative catalysts for oxygen reduction reaction because of their distinctively enhanced activities compared to pure monometallic systems. Understanding of the origin of activity enhancement is essential for exploiting any novel bimetallic catalyst. In this work, we used AuCu3 as a model to study the synergetic effects existing among the atoms with strong and weak affinity toward oxygen through density functional theory (DFT) calculation. The results suggest that the combination site of Au and Cu instead of Au-Au or Cu-Cu site provided the best onset potential (0.75 V vs reversible hydrogen electrode (RHE)) for oxygen reduction reaction, which is very close to what has been achieved on Pt(111). And the narrow gap between the onset potentials of AuCu3 and Pt obtained by calculation is consistent with the experimental result. Such results not only explain synergetic effects on bimetallic alloy but also may shed light on designing a novel catalyst for ORR.; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; SCI(E); EI; 0; ARTICLE; dgxia@pku.edu.cn; 2; 907-912; 119
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/154084]
专题	工学院
推荐引用方式 GB/T 7714	Zhang, Nanlin,Yan, Huijun,Chen, Xin,et al. Origins for the Synergetic Effects of AuCu3 in Catalysis for Oxygen Reduction Reaction[J]. journal of physical chemistry c,2015.
APA	Zhang, Nanlin,Yan, Huijun,Chen, Xin,An, Li,Xia, Zhonghong,&Xia, Dingguo.(2015).Origins for the Synergetic Effects of AuCu3 in Catalysis for Oxygen Reduction Reaction.journal of physical chemistry c.
MLA	Zhang, Nanlin,et al."Origins for the Synergetic Effects of AuCu3 in Catalysis for Oxygen Reduction Reaction".journal of physical chemistry c (2015).