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arXiv · 2201.13443

Photocatalytic water oxidation on SrTiO$_3$ [001] surfaces

Vidushi Sharma·Benjamin Bein·Amanda Lai·Betül Pamuk·Cyrus E. Dreyer·Marivi Fernández-Serra·Matthew Dawber
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Abstract

SrTiO$_3$ is a highly efficient photocatalyst for the overall water splitting reaction under UV irradiation. However, an atomic-level understanding of the active surface sites responsible for the oxidation and reduction reactions is still lacking. Here we present a unified experimental and computational account of the photocatalytic activity at the SrO- and TiO$_2$- terminations of aqueous-solvated [001] SrTiO$_3$. Our experimental findings show that the overall water-splitting reaction proceeds on the SrTiO$_3$ surface only when the two terminations are simultaneously exposed to water. Our simulations explain this, showing that the photogenerated hole-driven oxidation primarily occurs at SrO surfaces in a sequence of four single hole transfer reactions, while the TiO$_2$ termination effects the crucial band alignment of the photocatalyst relative to the water oxidation potential. The present work elucidates the interdependence of the two chemical terminations of SrTiO$_3$ surfaces, and has consequent implications for maximizing sustainable solar-driven water splitting.

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Vidushi Sharma, Benjamin Bein, Amanda Lai, Betül Pamuk, Cyrus E. Dreyer, Marivi Fernández-Serra, Matthew Dawber. 2022-01-31. Photocatalytic water oxidation on SrTiO$_3$ [001] surfaces. https://arxiv.org/abs/2201.13443

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