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Enhanced electrochemical water oxidation: the impact of nanoclusters and nanocavities

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Abstract

The structures of transition metal surfaces and metal oxides are commonly believed to have a significant effect on the catalytic reactions. Density functional theory calculations are therefore used in this study to investigate the oxygen evolution reaction (OER) over nanostructured, i.e. nanocluster and nanocavity, surfaces of hematite (Fe2O3). The calculated results demonstrate an optimum nanocluster size with respect to the OER overpotential. The presence of nanoclusters on the electrode is regarded as an attractive strategy for increasing the activity in photoelectrochemical water splitting. However, in this work, we found that the presence of a nanocavity is a more effective strategy for lowering the overpotential compared to nanoclusters. This finding of the nanocavity-favoured OER for hematite surfaces is verified by similar simulations of WO3 surfaces.

Graphical abstract: Enhanced electrochemical water oxidation: the impact of nanoclusters and nanocavities

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Publication details

The article was received on 07 Oct 2017, accepted on 02 Nov 2017 and first published on 02 Nov 2017


Article type: Paper
DOI: 10.1039/C7CP06852B
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Enhanced electrochemical water oxidation: the impact of nanoclusters and nanocavities

    X. Zhang, C. Cao and A. Bieberle-Hütter, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP06852B

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