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

DOI: 10.1039/C4CP01900H DOI Help

Authors: A. A. Sokol (University College London) , M. R. Farrow (University College London) , J. Buckeridge (University College London) , A. J. Logsdail (University College London) , C. R. A. Catlow (University College London) , D. O. Scanlon (University College London; Diamond Light Source) , S. M. Woodley (University College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics , VOL 16 , PAGES 21098 - 21105

State: Published (Approved)
Published: June 2014

Open Access Open Access

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.

Diamond Keywords: Photocatalysis; Semiconductors

Subject Areas: Chemistry, Materials

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Added On: 02/03/2016 10:27


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Physical Chemistry Catalysis Chemistry Materials Science

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