Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen-Reference-Cited by-同舟云学术

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen

Published:2021 Issue:4 Volume:14 Page:2335-2348
ISSN:1754-5692
Container-title:Energy & Environmental Science
language:en
Short-container-title:Energy Environ. Sci.

Author:

Xiong Yihuang¹²³⁴^ORCID,Campbell Quinn T.⁵⁶⁴^ORCID,Fanghanel Julian¹²³⁴⁷,Badding Catherine K.⁸⁹¹⁰⁴^ORCID,Wang Huaiyu¹²³⁴^ORCID,Kirchner-Hall Nicole E.¹²³⁴^ORCID,Theibault Monica J.⁸⁹¹⁰⁴,Timrov Iurii¹¹¹²¹³¹⁴^ORCID,Mondschein Jared S.⁷²³⁴,Seth Kriti⁷²³⁴,Katz Rebecca⁷²³⁴,Villarino Andrés Molina⁸⁹¹⁰⁴,Pamuk Betül¹⁵⁹¹⁰⁴^ORCID,Penrod Megan E.¹²³⁴,Khan Mohammed M.¹²³⁴^ORCID,Rivera Tiffany⁷²³⁴,Smith Nathan C.¹⁶¹⁷¹⁸⁴,Quintana Xavier¹²³⁴,Orbe Paul¹²³⁴,Fennie Craig J.¹⁵⁹¹⁰⁴,Asem-Hiablie Senorpe¹⁹²³⁴,Young James L.²⁰²¹⁴,Deutsch Todd G.²⁰²¹⁴^ORCID,Cococcioni Matteo²²²³²⁴²⁵^ORCID,Gopalan Venkatraman¹²³⁴^ORCID,Abruña Héctor D.⁸⁹¹⁰⁴^ORCID,Schaak Raymond E.⁷²³⁴^ORCID,Dabo Ismaila¹²³⁴¹⁹^ORCID

Affiliation:

1. Department of Materials Science and Engineering, and Materials Research Institute

2. The Pennsylvania State University

3. University Park

4. USA

5. Sandia National Laboratories

6. Albuquerque

7. Department of Chemistry and Materials Research Institute

8. Department of Chemistry and Chemical Biology

9. Cornell University

10. Ithaca

11. Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL)

12. École Polytechnique Fédérale de Lausanne

13. CH-1015 Lausanne

14. Switzerland

15. School of Applied and Engineering Physics

16. Department of Materials Science and Engineering

17. Northwestern University

18. Evanston

19. Institutes of Energy and the Environment

20. National Renewable Energy Laboratory

21. Golden

22. Department of Physics

23. University of Pavia

24. Pavia

25. Italy

Abstract

We develop and demonstrate a comprehensive data-driven screening protocol with co-validation between experiment and theory to maximize the success rate of materials discovery for photocatalytic hydrogen generation.

Funder

Division of Materials Research

Horizon 2020 Framework Programme

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

National Renewable Energy Laboratory

National Science Foundation

U.S. Department of Energy

Office of Energy Efficiency and Renewable Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Nuclear Energy and Engineering,Renewable Energy, Sustainability and the Environment,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/EE/D0EE02984J

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