Ganose, AM;
Matsumoto, S;
Buckeridge, J;
Scanlon, DO;
(2018)
Defect engineering of earth-abundant solar absorbers, BiSI and BiSeI.
Chemistry of Materials
, 30
(11)
pp. 3827-3835.
10.1021/acs.chemmater.8b01135.
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Abstract
Bismuth-based solar absorbers have recently garnered attention due to their promise as cheap, nontoxic, and efficient photovoltaics. To date, however, most show poor efficiencies far below those seen in commercial technologies. In this work, we investigate two such promising materials, BiSI and BiSeI, using relativistic first-principles methods with the aim of identifying their suitability for photovoltaic applications. Both compounds show excellent optoelectronic properties with ideal band gaps and strong optical absorption, leading to high predicted device performance. Using defect analysis, we reveal the electronic and structural effects that can lead to the presence of deep trap states, which may help explain the prior poor performance of these materials. Crucially, detailed mapping of the range of experimentally accessible synthesis conditions allows us to provide strategies to avoid the formation of killer defects in the future.
Type: | Article |
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Title: | Defect engineering of earth-abundant solar absorbers, BiSI and BiSeI |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1021/acs.chemmater.8b01135 |
Publisher version: | http://dx.doi.org/10.1021/acs.chemmater.8b01135 |
Language: | English |
Additional information: | Copyright © 2018 American Chemical Society. ACS AuthorChoice - This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
URI: | https://discovery.ucl.ac.uk/id/eprint/10050121 |
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