期刊
NANO ENERGY
卷 29, 期 -, 页码 261-267出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.nanoen.2016.05.024
关键词
Fuel Cells; Electrocatalysis; Density function theory; Core-shell catalyst; Pt monolayer; Oxygen reduction reaction
类别
资金
- U.S. Department of Energy [DE-SC0012704]
- KIER's (Korea Institute of Energy Research) Research and Development Program [B5-2425]
- International Collaborative Energy Technology R&D Program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) from the Ministry of Trade, Industry & Energy, Republic of Korea [20158520030830]
- Office of Science of the U.S. DOE [DEAC02-05CH11231]
Platinum monolayer electrocatalyst are known to exhibit excellent oxygen reduction reaction (ORR) activity depending on the type of substrate used. Here we demonstrate a relationship between the ORR electrocatalytic activity and the surface electronic structure of Pt monolayer shell induced by various IrM bimetallic cores (M=Fe, Co, Ni or Cu). The relationship is rationalized by comparing density functional theory calculations and experimental results. For an efficient Pt monolayer electrocatalyst, the core should induce sufficient contraction to the Pt shell leading to a downshift of the D-band center with respect to the Fermi level. Depending on the structure of the IrM, relative to that of pure Ir, this interaction not only alters the electronic and geometric structure but also induces segregation effects. Combined these effects significantly enhance the ORR activities of the Pt monolayer shell on bimetallic Ir cores electrocatalysts. (C) 2016 Elsevier Ltd. All rights reserved.
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