Adsorption Site Screening on a PGM-Free Electrocatalyst: Insights from Grand Canonical Density Functional Theory
Author:
Affiliation:
1. Materials, Chemical, and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States
Funder
Hydrogen and Fuel Cell Technologies Office
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c03498
Reference42 articles.
1. Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst
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4. Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials
5. Axial ligand effect on the stability of Fe–N–C electrocatalysts for acidic oxygen reduction reaction
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