期刊
NANO ENERGY
卷 29, 期 -, 页码 54-64出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.nanoen.2016.05.025
关键词
non-PGM catalysts; Oxygen reduction reaction; ORR; DFT modeling; Fuel cells
类别
资金
- Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy through Fuel Cell Technologies Office
- Los Alamos National Laboratory through Laboratory Directed Research and Development
Atomic-scale structures of oxygen reduction reaction (ORR) active sites in non-platinum group metal (non-PGM) catalysts, made from pyrolysis of carbon, nitrogen, and transition-metal (TM) precursors have been the subject of continuing discussion in the fuel cell electrocatalysis research community. Quantum chemical modeling is one path forward for understanding of these materials and how they catalyze the ORR. We here demonstrate through literature examples of how such modeling can be used to better understand non-PGM ORR active site relative stability and activity and how such efforts can also aid in the interpretation of experimental signatures produced by these materials. (C) 2016 Elsevier Ltd. All rights reserved.
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