The impact of surface composition on the interfacial energetics and photoelectrochemical properties of BiVO4

Dongho Lee, Wennie Wang, Chenyu Zhou, Xiao Tong, Mingzhao Liu (), Giulia Galli () and Kyoung-Shin Choi ()
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Dongho Lee: University of Wisconsin–Madison
Wennie Wang: University of Chicago
Chenyu Zhou: Center for Functional Nanomaterials, Brookhaven National Laboratory
Xiao Tong: Center for Functional Nanomaterials, Brookhaven National Laboratory
Mingzhao Liu: Center for Functional Nanomaterials, Brookhaven National Laboratory
Giulia Galli: University of Chicago
Kyoung-Shin Choi: University of Wisconsin–Madison

Nature Energy, 2021, vol. 6, issue 3, 287-294

Abstract: Abstract The ability to engineer a photoelectrode surface is pivotal for optimizing the properties of any photoelectrode used for solar fuel production. Altering crystal facets exposed on the surface of photoelectrodes has been a major strategy to modify their surface structure. However, there exist numerous ways to terminate the surface even for the same facet, which can considerably alter the photoelectrode properties. Here we report tightly integrated experimental and computational investigations of epitaxial BiVO4 photoelectrodes with vanadium- and bismuth-rich (010) facets. Our study demonstrates that even for the same facet the surface Bi:V ratio has a remarkable impact on the interfacial energetics and photoelectrochemical properties. We also elucidate the microscopic origins of how the surface composition can affect the photoelectrochemical properties. This study opens an unexplored path for understanding and engineering surface energetics via tuning the surface termination/composition of multinary oxide photoelectrodes.

Date: 2021
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DOI: 10.1038/s41560-021-00777-x

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