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Structure of the water-splitting photocatalyst oxysulfide α-LaOInS2 and ab initio prediction of new polymorphs

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Abstract

We unveil the structure and investigate the visible light water-splitting of the photocatalyst α-LaOInS2, the second polymorph in this composition. This remarkable oxysulfide exhibits rare mixed anion InS5O octahedra leading to both O-2p and S-3p hybridized with indium states in the vicinity of the Fermi level. Ab initio structure prediction shows the stability of such heteroleptic environments and points to other hypothetical polymorphs.

Graphical abstract: Structure of the water-splitting photocatalyst oxysulfide α-LaOInS2 and ab initio prediction of new polymorphs

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Submitted
18 Dec 2019
Accepted
06 Jan 2020
First published
06 Jan 2020

Chem. Commun., 2020, Advance Article
Article type
Communication

Structure of the water-splitting photocatalyst oxysulfide α-LaOInS2 and ab initio prediction of new polymorphs

H. Kabbour, A. Sayede, S. Saitzek, G. Lefèvre, L. Cario, M. Trentesaux and P. Roussel, Chem. Commun., 2020, Advance Article , DOI: 10.1039/C9CC09797J

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