materialscloud:2019.0028/v1
Published May 30, 2019 | Version v1
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Intrinsic defects in amorphous TiO2

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  • 1. Chaire de Simulation à l'Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

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Description

This entry provides the atomic structures of three bulk amorphous TiO2 models generated through the melt-and-quench method with different cooling rates and of ten O-O peroxy linkages obtained by adding two holes to the bulk model constructed with the lowest cooling rate.

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References

Journal reference
Z. Guo, F. Ambrosio, A. Pasquarello, Journal of Materials Chemistry A 6, 11804 (2018), doi: 10.1039/c8ta02179a