The Role of Molecular Modeling in TiO₂ Photocatalysis.

Abstract

Molecular Modeling methods play a very important role in TiO₂ photocatalysis. Recent advances in TiO₂ photocatalysis have produced a number of interesting surface phenomena, reaction products, and various novel visible light active photocatalysts with improved properties. Quantum mechanical calculations appear promising as a means of describing the… (More)
DOI: 10.3390/molecules22040556

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