First-principles investigation of the hydrogen evolution reaction of transition metal phosphides CrP, MnP, FeP, CoP, and NiP

Author:

Wang Ta-Wei12345,Wang Tan-Ling12345,Chou Wan-Jou12345,Wu Li-Fan12345,Lin Shi-Hsin12345ORCID

Affiliation:

1. Department of Materials and Optoelectronic Science

2. Center of Crystal Research

3. National Sun Yat-Sen University

4. Kaohsiung 804

5. Taiwan

Abstract

We comprehensively investigated the hydrogen evolution reaction (HER) activity of a series of transition metal phosphides MP (M = Cr, Mn, Fe, Co, and Ni) using first-principles calculations.

Funder

Ministry of Science and Technology, Taiwan

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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