Complex oxide β-Mn2V2O7 is identified as exhibiting near-optimal band energetics for solar fuel applications among known metal oxides. Experiments, corroborated by theory, indicate a bandgap near 1.8 eV. The calculations predict that β-Mn2V2O7 has well-aligned band edge energies for the hydrogen evolution reaction and oxygen evolution reaction. Photoelectrochemical measurements indicate appreciable photocurrent, corroborating the predictions.
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Yan et al. (2015) studied this question.
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