Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide.

Shi, Xinjian; Siahrostami, Samira; Li, Guo-Ling; Zhang, Yirui; Chakthranont, Pongkarn; Studt, Felix; Jaramillo, Thomas F; Zheng, Xiaolin et al. · Nat Commun · 2017

basic_science · Level V

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Abstract

Electrochemical production of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) 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 H<sub>2</sub>O<sub>2</sub> evolution on four different metal oxides, i.e., WO<sub>3</sub>, SnO<sub>2</sub>, TiO<sub>2</sub> and BiVO<sub>4</sub>. The density functional theory predicted trend for H<sub>2</sub>O<sub>2</sub> evolution is further confirmed by our experimental measurements. Moreover, we identify that BiVO<sub>4</sub> has the best H<sub>2</sub>O<sub>2</sub> generation amount of those oxides and can achieve a Faraday efficiency of about 98% for H<sub>2</sub>O<sub>2</sub> production.Producing hydrogen peroxide via electrochemical oxidation of water is an attractive route to this valuable product. Here the authors theoretically and experimentally investigate hydrogen peroxide production activity trends for a range of metal oxides and identify the optimal bias ranges for high Faraday efficiencies.