The charge effects on the hydrogen evolution reaction activity of the defected monolayer MoS2

Author:

Zhang Jing1ORCID,Li Dongying2,Ju Lin1ORCID,Yang Gui3,Yuan Di1,Feng Zhenzhen4,Wang Wentao5ORCID

Affiliation:

1. School of Physics and Electric Engineering, Anyang Normal University, Anyang, 455000, China

2. Department of Environmental and Municipal Engineering, North China University of Water Conservancy and Electric Power, Zhengzhou 450011, China

3. School of Mechanical and Electrical Engineering, Chuzhou University, Chuzhou 239000, China

4. Institute for Computational Materials Science, School of Physics and Electronics, International Joint Research Laboratory of New Energy Materials and Devices of Henan Province, Henan University, Kaifeng 475004, China

5. Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Education University, Guiyang 550018, China

Abstract

HER activity of defected MoS2 is not only influenced by the ΔGH* as previously thought, but also by formation energies, charge state and Fermi level's position of defects.

Funder

National Natural Science Foundation of China

Education Department of Henan Province

Key Scientific Research Project of Colleges and Universities in Henan Province

Natural Science Foundation of Guizhou Province

Henan Province Foundation for University Key Teacher

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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