A multiscale modelling approach to elucidate the mechanism of the oxygen evolution reaction at the hematite

A multiscale modelling approach to elucidate the mechanism of the oxygen evolution reaction at the hematite–water interface

Published:2021 Issue: Volume:229 Page:89-107
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Sinha V.¹²³⁴⁵^ORCID,Sun D.⁶⁷⁸⁹⁴,Meijer E. J.⁶⁷⁸⁹⁴^ORCID,Vlugt T. J. H.⁵¹⁰¹¹¹²⁴^ORCID,Bieberle-Hütter A.¹²³⁴^ORCID

Affiliation:

1. Electrochemical Materials and Interfaces

2. Dutch Institute for Fundamental Energy Research (DIFFER)

3. Eindhoven

4. The Netherlands

5. Process and Energy Department

6. Amsterdam Center for Multiscale Modelling

7. van’ t Hoff Institute for Molecular Sciences

8. University of Amsterdam

9. Amsterdam

10. Faculty of Mechanical, Maritime and Materials Engineering

11. Delft University of Technology

12. Delft

Abstract

A novel multiscale model to elucidate the mechanism of the oxygen evolution reaction at the hematite–water interface.

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/FD/C9FD00140A

Reference71 articles.

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4. Modeling and Simulations in Photoelectrochemical Water Oxidation: From Single Level to Multiscale Modeling

5. The rise of hematite: origin and strategies to reduce the high onset potential for the oxygen evolution reaction

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