High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification

Author:

Li Pengkun1234ORCID,Zhu Jinguo1234,Handoko Albertus D.56789ORCID,Zhang Ruifeng1234ORCID,Wang Haotian10111213ORCID,Legut Dominik14151617,Wen Xiaodong181920214ORCID,Fu Zhongheng1234,Seh Zhi Wei56789ORCID,Zhang Qianfan1234

Affiliation:

1. School of Materials Science and Engineering

2. Beihang University

3. Beijing

4. P. R. China

5. Institute of Materials Research and Engineering

6. Agency for Science

7. Technology and Research (A*STAR)

8. Singapore 138634

9. Singapore

10. Rowland Institute

11. Harvard University

12. Cambridge

13. USA

14. IT4Innovations Center

15. VSB-Technical University of Ostrava

16. CZ-708 33 Ostrava

17. Czech Republic

18. State Key Laboratory of Coal Conversion

19. Institute of Coal Chemistry

20. Chinese Academy of Sciences

21. Taiyuan

Abstract

Electrocatalysis has the potential to become a more sustainable approach to generate hydrogen as a clean energy source and chemical feedstock.

Funder

National Research Foundation Singapore

National Natural Science Foundation of China

Ministry of Human Resources and Social Security

Program for New Century Excellent Talents in University

Rowland Institute

European Regional Development Fund

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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