Insights into the activity of single-atom Fe-N-C catalysts for oxygen reduction reaction

Kang Liu; Junwei Fu; Yiyang Lin; Tao Luo; Ganghai Ni; Hongmei Li; Zhang Lin; Min Liu

doi:10.1038/s41467-022-29797-1

Nature Communications (Apr 2022)

Insights into the activity of single-atom Fe-N-C catalysts for oxygen reduction reaction

Kang Liu,
Junwei Fu,
Yiyang Lin,
Tao Luo,
Ganghai Ni,
Hongmei Li,
Zhang Lin,
Min Liu

Affiliations

Kang Liu: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University
Junwei Fu: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University
Yiyang Lin: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University
Tao Luo: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University
Ganghai Ni: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University
Hongmei Li: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University
Zhang Lin: School of Metallurgy and Environment, Central South University
Min Liu: Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics and Electronics, Central South University

DOI: https://doi.org/10.1038/s41467-022-29797-1
Journal volume & issue: Vol. 13, no. 1
pp. 1 – 8

Abstract

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It is of high importance to understand the origin of single-atom Fe-N4 activity in oxygen reduction reaction. Here, the authors provide a model to understand the catalytic activity of Fe-N4 site from the spatial structure and energy level of the frontier orbitals by density functional theory calculations.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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