Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide

Xinjian Shi, Samira Siahrostami, Guo-Ling Li, Yirui Zhang, Pongkarn Chakthranont, Felix Studt, Thomas F. Jaramillo, Xiaolin Zheng () and Jens K. Nørskov ()
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Xinjian Shi: Stanford University
Samira Siahrostami: Stanford University
Guo-Ling Li: SLAC National Accelerator Laboratory
Yirui Zhang: Stanford University
Pongkarn Chakthranont: Stanford University
Felix Studt: SLAC National Accelerator Laboratory
Thomas F. Jaramillo: Stanford University
Xiaolin Zheng: Stanford University
Jens K. Nørskov: Stanford University

Nature Communications, 2017, vol. 8, issue 1, 1-6

Abstract: Abstract Electrochemical production of hydrogen peroxide (H2O2) from water oxidation could provide a very attractive route to locally produce a chemically valuable product from an abundant resource. Herein using density functional theory calculations, we predict trends in activity for water oxidation towards H2O2 evolution on four different metal oxides, i.e., WO3, SnO2, TiO2 and BiVO4. The density functional theory predicted trend for H2O2 evolution is further confirmed by our experimental measurements. Moreover, we identify that BiVO4 has the best H2O2 generation amount of those oxides and can achieve a Faraday efficiency of about 98% for H2O2 production.

Date: 2017
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DOI: 10.1038/s41467-017-00585-6

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