Linking structure to function: The search for active sites in non-platinum group metal oxygen reduction reaction catalysts

Holby, Edward F.; Zelenay, Piotr

doi:10.1016/j.nanoen.2016.05.025

Title: Linking structure to function: The search for active sites in non-platinum group metal oxygen reduction reaction catalysts

Journal Article · Tue May 17 04:00:00 UTC 2016 · Nano Energy

DOI: https://doi.org/10.1016/j.nanoen.2016.05.025 · OSTI ID:1304716

Holby, Edward F. ^[1]; Zelenay, Piotr ^[2]

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.

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Research Organization:: Los Alamos National Laboratory (LANL)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1304716

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

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