Linking structure to function: The search for active sites in non-platinum group metal oxygen reduction reaction catalysts
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Sigma
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Physics and Applications
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. We found that quantum chemical modeling is a path forward for understanding of these materials and how they catalyze the ORR. Here, we 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.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- Grant/Contract Number:
- AC52-06NA25396
- OSTI ID:
- 1304716
- Alternate ID(s):
- OSTI ID: 1397361
- Report Number(s):
- LA-UR-16-20341
- Journal Information:
- Nano Energy, Journal Name: Nano Energy; ISSN 2211-2855
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 101 works
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