Enabling multifunctional electrocatalysts by modifying the basal plane of unifunctional 1T′-MoS2 with anchored transition metal single atoms

Author:

Wang Yuanyuan1,Wang Mengru1,Lu Zhansheng2ORCID,Ma Dongwei1ORCID,Jia Yu13ORCID

Affiliation:

1. Key Laboratory for Special Functional Materials of Ministry of Education, and School of Materials Science and Engineering, Henan University, Kaifeng 475004, China

2. School of Physics, and National Demonstration Center for Experimental Physics Education, Henan Normal University, Xinxiang 453007, China

3. International Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001, China

Abstract

Based on first-principles calculations, highly efficient multifunctional single-atom catalysts are realized by modifying the basal plane of unifunctional 1T′-MoS2 with the supported transition-metal single atoms that create new active sites.

Funder

National Natural Science Foundation of China

Science and Technology Innovation Talents in Universities of Henan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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