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.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.

中文翻译：

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了解电化学水氧化形成过氧化氢的活性趋势。

由水氧化电化学生产过氧化氢（H ₂ O ₂）可以提供一条非常诱人的途径，可以从丰富的资源中本地生产具有化学价值的产品。在本文中，我们使用密度泛函理论计算，预测了在四种不同的金属氧化物，即WO ₃，SnO ₂，TiO ₂和BiVO ₄上，水氧化对H ₂ O ₂析出的活性趋势。通过我们的实验测量进一步证实了密度泛函理论预测的H ₂ O ₂析出趋势。此外，我们确定BiVO ₄具有最佳的H这些氧化物的₂ O ₂生成量可以达到H ₂ O ₂生产的约98％的法拉第效率。通过水的电化学氧化生产过氧化氢是获得这种有价值的产品的诱人途径。作者在理论上和实验上研究了一系列金属氧化物的过氧化氢生产活性趋势，并确定了法拉第效率高的最佳偏置范围。