Double bubbles: a new structural motif for enhanced electron–hole separation in solids
Journal article
Sokol, A. A., Farrow, M. R., Buckeridge, J., Logsdail, A. J., Catlow, C. R. A., Scanlon, D. O. and Woodley, S. M. (2014). Double bubbles: a new structural motif for enhanced electron–hole separation in solids. Physical Chemistry Chemical Physics. 16, pp. 21098-21105. https://doi.org/10.1039/C4CP01900H
Authors | Sokol, A. A., Farrow, M. R., Buckeridge, J., Logsdail, A. J., Catlow, C. R. A., Scanlon, D. O. and Woodley, S. M. |
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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. |
Year | 2014 |
Journal | Physical Chemistry Chemical Physics |
Journal citation | 16, pp. 21098-21105 |
Digital Object Identifier (DOI) | https://doi.org/10.1039/C4CP01900H |
Web address (URL) | https://pubs.rsc.org/en/content/articlelanding/2014/CP/C4CP01900H#!divAbstract |
Publication dates | |
18 Jun 2014 | |
Publication process dates | |
Submitted | 02 May 2014 |
Accepted | 16 Jun 2014 |
Deposited | 21 Oct 2019 |
Accepted author manuscript | License File Access Level Open |
https://openresearch.lsbu.ac.uk/item/88417
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