Tuning metal single atoms embedded in NxCy moieties toward high-performance electrocatalysis

Author:

Ha Miran12345ORCID,Kim Dong Yeon12345ORCID,Umer Muhammad12345,Gladkikh Vladislav12345,Myung Chang Woo12345ORCID,Kim Kwang S.12345ORCID

Affiliation:

1. Center for Superfunctional Materials

2. Department of Chemistry

3. Ulsan National Institute of Science and Technology (UNIST)

4. Ulsan 44919

5. Korea

Abstract

High-performance 3d–5d transition metal single atom electrocatalysts ligated by various –NxCy moieties of N-doped graphene are investigated for hydrogen evolution and oxygen evolution/reduction reactions using high-throughput computational screening and machine learning.

Funder

Korea Institute of Science and Technology Information

National Research Foundation of Korea

Ulsan National Institute of Science & Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Nuclear Energy and Engineering,Renewable Energy, Sustainability and the Environment,Environmental Chemistry

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