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Identifying Reactive Sites and Surface Traps in Chalcopyrite Photocathodes.

Authors
  • Liu, Yongpeng1
  • Bouri, Maria2
  • Yao, Liang1
  • Xia, Meng1
  • Mensi, Mounir1
  • Grätzel, Michael1
  • Sivula, Kevin1
  • Aschauer, Ulrich2
  • Guijarro, Néstor1, 3
  • 1 Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne (EPFL), Station 6, Lausanne, 1015, Switzerland. , (Switzerland)
  • 2 Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012, Bern, Switzerland. , (Switzerland)
  • 3 Present address: Institute of Electrochemistry, Universidad de Alicante, Apartat 99, E-03080, Alacant, Spain. , (Spain)
Type
Published Article
Journal
Angewandte Chemie International Edition in English
Publisher
Wiley (John Wiley & Sons)
Publication Date
Oct 25, 2021
Volume
60
Issue
44
Pages
23651–23655
Identifiers
DOI: 10.1002/anie.202108994
PMID: 34428331
Source
Medline
Keywords
Language
English
License
Unknown

Abstract

Gathering information on the atomic nature of reactive sites and trap states is key to fine tuning catalysis and suppressing deleterious surface voltage losses in photoelectrochemical technologies. Here, spectroelectrochemical and computational methods were combined to investigate a model photocathode from the promising chalcopyrite family: CuIn0.3 Ga0.7 S2 . We found that voltage losses are linked to traps induced by surface Ga and In vacancies, whereas operando Raman spectroscopy revealed that catalysis occurred at Ga, In, and S sites. This study allows establishing a bridge between the chalcopyrite's performance and its surface's chemistry, where avoiding formation of Ga and In vacancies is crucial for achieving high activity. © 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.

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