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The role of the CeO_2/BiVO_4 interface in optimized Fe-Ce oxide coatings for solar fuels photoanodes

Shinde, A. and Li, G. and Zhou, L. and Guevarra, D. and Suram, S. K. and Toma, F. M. and Yan, Q. and Haber, J. A. and Neaton, J. B. and Gregoire, J. M. (2016) The role of the CeO_2/BiVO_4 interface in optimized Fe-Ce oxide coatings for solar fuels photoanodes. Journal of Materials Chemistry A, 4 (37). pp. 14356-14363. ISSN 2050-7488. doi:10.1039/c6ta04746g.

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Solar fuel generators entail a high degree of materials integration, and efficient photoelectrocatalysis of the constituent reactions hinges upon the establishment of highly functional interfaces. The recent application of high throughput experimentation to interface discovery for solar fuels photoanodes has revealed several surprising and promising mixed-metal oxide coatings for BiVO_4. Using sputter deposition of composition and thickness gradients on a uniform BiVO_4 film, we systematically explore photoanodic performance as a function of the composition and loading of Fe–Ce oxide coatings. This combinatorial materials integration study not only enhances the performance of this new class of materials but also identifies CeO_2 as a critical ingredient that merits detailed study. A heteroepitaxial CeO_2(001)/BiVO_4(010) interface is identified in which Bi and V remain fully coordinated to O such that no surface states are formed. Ab initio calculations of the integrated materials and inspection of the electronic structure reveals mechanisms by which CeO_2 facilitates charge transport while mitigating deleterious recombination. The results support the observations that addition of Ce to BiVO_4 coatings greatly enhances photoelectrocatalytic activity, providing an important strategy for developing a scalable solar fuels technology.

Item Type:Article
Related URLs:
URLURL TypeDescription
Shinde, A.0000-0003-2386-3848
Zhou, L.0000-0002-7052-266X
Guevarra, D.0000-0002-9592-3195
Suram, S. K.0000-0001-8170-2685
Toma, F. M.0000-0003-2332-0798
Haber, J. A.0000-0001-7847-5506
Neaton, J. B.0000-0001-7585-6135
Gregoire, J. M.0000-0002-2863-5265
Alternate Title:The role of the CeO2/BiVO4 interface in optimized Fe-Ce oxide coatings for solar fuels photoanodes
Additional Information:© 2016 The Royal Society of Chemistry. Received 6th June 2016; Accepted 26th August 2016; First published online 09 Sep 2016. This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy (Award No. DE-SC0004993). A. Shinde, G. Li and L. Zhou contributed equally to this work. The authors thank Ian Sharp for insightful discussions and Xinghao Zhou for assistance with AFM experiments.
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0004993
Issue or Number:37
Record Number:CaltechAUTHORS:20160909-133249863
Persistent URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:70252
Deposited By: Tony Diaz
Deposited On:09 Sep 2016 20:42
Last Modified:26 Apr 2022 17:32

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