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Issue 7, 2011
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Theoretical insight into the electronic, optical and photocatalytic properties of InMO4 (M = V, Nb, Ta) photocatalysts

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Abstract

The electronic and optical properties of InMO4 (M = V, Nb, Ta) photocatalysts are studied using first-principles calculations. For all InMO4, the calculated band gaps are larger than the measured optical gaps, indicating the existence of sub-bandgap transitions. Impurity states and excitons are considered to interpret the characteristic absorption onsets in the measured UV-visible diffuse reflection spectra. The novel visible-light-active water-splitting photocatalytic properties of InMO4 are related to the sub-bandgap transitions. Correlation between the impurity states and the photocatalytic activities is discussed for InMO4via the conventional mechanism of photocatalytic water-splitting on semiconductors. An excitonic mechanism analogous to Photosystem II in plant photosynthesis is also proposed for the photocatalytic water-splitting process on InMO4.

Graphical abstract: Theoretical insight into the electronic, optical and photocatalytic properties of InMO4 (M = V, Nb, Ta) photocatalysts

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Publication details

The article was received on 13 Oct 2009, accepted on 05 Nov 2010 and first published on 13 Dec 2010


Article type: Paper
DOI: 10.1039/B921143H
Citation: Phys. Chem. Chem. Phys., 2011,13, 2824-2833
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    Theoretical insight into the electronic, optical and photocatalytic properties of InMO4 (M = V, Nb, Ta) photocatalysts

    G. Li and Z. Yin, Phys. Chem. Chem. Phys., 2011, 13, 2824
    DOI: 10.1039/B921143H

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