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Title: The role of the CeO 2/BiVO 4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes

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. Our 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. Furthermore, when 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)/BiVO4(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. Our 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.
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [1] ;  [3] ;  [4] ;  [1] ;  [5] ;  [1]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis (JCAP) and Chemical Sciences Division
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis (JCAP) and Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics and Kavli Energy NanoSciences Inst.
Publication Date:
Grant/Contract Number:
SC0004993; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Volume: 4; Journal Issue: 37; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Research Org:
California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 14 SOLAR ENERGY
OSTI Identifier:
1333884
Alternate Identifier(s):
OSTI ID: 1454446

Shinde, A., Li, G., Zhou, L., Guevarra, D., Suram, S. K., Toma, F. M., Yan, Q., Haber, J. A., Neaton, J. B., and Gregoire, J. M.. The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes. United States: N. p., Web. doi:10.1039/c6ta04746g.
Shinde, A., Li, G., Zhou, L., Guevarra, D., Suram, S. K., Toma, F. M., Yan, Q., Haber, J. A., Neaton, J. B., & Gregoire, J. M.. The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes. United States. doi:10.1039/c6ta04746g.
Shinde, A., Li, G., Zhou, L., Guevarra, D., Suram, S. K., Toma, F. M., Yan, Q., Haber, J. A., Neaton, J. B., and Gregoire, J. M.. 2016. "The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes". United States. doi:10.1039/c6ta04746g. https://www.osti.gov/servlets/purl/1333884.
@article{osti_1333884,
title = {The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes},
author = {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.},
abstractNote = {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. Our recent application of high throughput experimentation to interface discovery for solar fuels photoanodes has revealed several surprising and promising mixed-metal oxide coatings for BiVO4. Furthermore, when using sputter deposition of composition and thickness gradients on a uniform BiVO4 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 CeO2 as a critical ingredient that merits detailed study. A heteroepitaxial CeO2(001)/BiVO4(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 CeO2 facilitates charge transport while mitigating deleterious recombination. Our results support the observations that addition of Ce to BiVO4 coatings greatly enhances photoelectrocatalytic activity, providing an important strategy for developing a scalable solar fuels technology.},
doi = {10.1039/c6ta04746g},
journal = {Journal of Materials Chemistry. A},
number = 37,
volume = 4,
place = {United States},
year = {2016},
month = {9}
}

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