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Issue 16, 2015
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TiO2–anthraquinone hybrids: from quantum-chemical design to functional materials

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Abstract

A series of materials based on titanium dioxide nanoparticles and anthraquinone dyes have been modelled using the quantum mechanical minimalistic model. Based on the computational results some spectral and photoelectrochemical properties of these materials have been predicted. Experimental studies indicate that the quantum-chemical predictions are correct. New materials exhibit interesting switching properties and moderate photosensitization towards visible light. Furthermore, based on excited state properties of dye–semiconductor hybrids diverse photocatalytic properties, including the activation of molecular oxygen, can be predicted.

Graphical abstract: TiO2–anthraquinone hybrids: from quantum-chemical design to functional materials

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Publication details

The article was received on 26 Jan 2015, accepted on 12 Mar 2015 and first published on 13 Mar 2015


Article type: Paper
DOI: 10.1039/C5TC00256G
Author version available: Download Author version (PDF)
Citation: J. Mater. Chem. C, 2015,3, 4148-4155
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    TiO2–anthraquinone hybrids: from quantum-chemical design to functional materials

    J. Mech, K. Mech and K. Szaciłowski, J. Mater. Chem. C, 2015, 3, 4148
    DOI: 10.1039/C5TC00256G

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