期刊
JOURNAL OF MATERIALS CHEMISTRY A
卷 7, 期 17, 页码 10739-10744出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9ta02022e
关键词
-
资金
- EPSRC [EP/L000202, EP/N01572X/1]
- Department of Chemistry at UCL [1492829]
- SUPERSOLAR Solar Energy Hub [EP/J017361/1]
- Materials Design Network
- EPSRC [EP/N01572X/1, EP/J017361/1, EP/R029431/1] Funding Source: UKRI
Antimony selenide, Sb2Se3, is a highly promising solar absorber material with excellent optoelectronic properties; solar cell efficiencies are now poised to exceed 10%, after a rapid rise over the past few years. However, the open-circuit voltage ( V-oc) of most cells remains low, and such a high V-oc deficit, along with defect spectroscopy studies, suggest that recombination via deep trap states may be a limiting factor. A comprehensive study of all the intrinsic defects in Sb2Se3 is warranted - in this article, we calculate the formation energies and transition levels of these defects using hybrid Density Functional Theory. Our results demonstrate that cation-anion antisite defects have low formation energies, and possess multiple mid-gap transition levels, making them the most likely candidates for previously observed trap states, and possible recombination centres. Suppressing these dominant defects will be crucial for future cell development - thus we also present potential methods to counteract their detrimental effects and allow further improvement in efficiencies.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据