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Issue 39, 2014
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Double bubbles: a new structural motif for enhanced electron–hole separation in solids

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Abstract

Electron–hole separation for novel composite systems comprised of secondary building units formed from different compounds is investigated with the aim of finding suitable materials for photocatalysis. Pure and mixed SOD and LTA superlattices of (ZnO)12 and (GaN)12, single-shell bubbles are constructed as well as core@shell single component frameworks composed of larger (ZnO)48 and (GaN)48 bubbles with each containing one smaller bubble. Enthalpies of formation for all systems are comparable with fullerenes. Hole and electron separation is achieved most efficiently by the edge sharing framework composed of (GaN)12@(ZnO)48 double bubbles, with the hole localised on the nitrogen within the smaller bubbles and the excited electron on zinc within the larger cages.

Graphical abstract: Double bubbles: a new structural motif for enhanced electron–hole separation in solids

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Publication details

The article was received on 02 May 2014, accepted on 16 Jun 2014 and first published on 18 Jun 2014


Article type: Paper
DOI: 10.1039/C4CP01900H
Citation: Phys. Chem. Chem. Phys., 2014,16, 21098-21105
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    Double bubbles: a new structural motif for enhanced electron–hole separation in solids

    A. A. Sokol, M. R. Farrow, J. Buckeridge, A. J. Logsdail, C. R. A. Catlow, D. O. Scanlon and S. M. Woodley, Phys. Chem. Chem. Phys., 2014, 16, 21098
    DOI: 10.1039/C4CP01900H

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