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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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Article information


Submitted
02 May 2014
Accepted
16 Jun 2014
First published
18 Jun 2014

This article is Open Access

Phys. Chem. Chem. Phys., 2014,16, 21098-21105
Article type
Paper
Author version available

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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