First-principles investigation of the hydrogen evolution reaction on different surfaces of pyrites MnS2, FeS2, CoS2, NiS2

Author:

Wu Ming-Hsiu12345,Chou Wan-Jou12345,Huang Jian-Syun12345,Putungan Darwin Barayang678910ORCID,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

6. Physics Division, Institute of Mathematical Sciences and Physics

7. University of the Philippines Los Baños

8. College

9. Los Baños

10. Philippines

Abstract

We theoretically investigated hydrogen evolution reaction (HER) on the XRD observed (100), (110), (111), and (210) surfaces of pyrite structure CoS2.

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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