气候变化领域集成服务门户(CCPortal): Assessing the defect tolerance of kesterite-inspired solar absorbers

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DOI	10.1039/d0ee02177f
	Assessing the defect tolerance of kesterite-inspired solar absorbers
	Crovetto A.; Kim S.; Fischer M.; Stenger N.; Walsh A.; Chorkendorff I.; Vesborg P.C.K.
发表日期	2020
ISSN	1754-5692
起始页码	3489
结束页码	3503
卷号	13 期号:10
英文摘要	Various thin-film I2-II-IV-VI4 photovoltaic absorbers derived from kesterite Cu2ZnSn(S,Se)4 have been synthesized, characterized, and theoretically investigated in the past few years. The availability of this homogeneous materials dataset is an opportunity to examine trends in their defect properties and identify criteria to find new defect-tolerant materials in this vast chemical space. We find that substitutions on the Zn site lead to a smooth decrease in band tailing as the ionic radius of the substituting cation increases. Unfortunately, this substitution strategy does not ensure the suppression of deeper defects and non-radiative recombination. Trends across the full dataset suggest that Gaussian and Urbach band tails in kesterite-inspired semiconductors are two separate phenomena caused by two different antisite defect types. Deep Urbach tails are correlated with the calculated band gap narrowing caused by the (2III + IVII) defect cluster. Shallow Gaussian tails are correlated with the energy difference between the kesterite and stannite polymorphs, which points to the role of (III + III) defect clusters involving Group IB and Group IIB atoms swapping across different cation planes. This finding can explain why in-plane cation disorder and band tailing are uncorrelated in kesterites. Our results provide quantitative criteria for discovering new kesterite-inspired photovoltaic materials with low band tailing. © The Royal Society of Chemistry.
语种	英语
scopus关键词	Defects; Energy gap; Positive ions; Thin film solar cells; Anti-site defect; Band gap narrowing; Energy differences; Homogeneous materials; Non-radiative recombinations; Photovoltaic absorbers; Photovoltaic materials; Quantitative criteria; Solar absorbers
来源期刊	Energy and Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/162425
作者单位	SurfCat, Dtu Physics, Technical University of Denmark, Lyngby, DK-2800, Denmark; Department of Structure and Dynamics of Energy Materials, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Berlin, Germany; Department of Materials, Imperial College London, London, SW7 2AZ, United Kingdom; Dtu Fotonik, Technical University of Denmark, Lyngby, DK-2800, Denmark; Center for Nanostructured Graphene (CNG), Technical University of Denmark, Lyngby, DK-2800, Denmark; Department of Materials Science and Engineering, Yonsei University, Seoul, 03722, South Korea
推荐引用方式 GB/T 7714	Crovetto A.,Kim S.,Fischer M.,et al. Assessing the defect tolerance of kesterite-inspired solar absorbers[J],2020,13(10).
APA	Crovetto A..,Kim S..,Fischer M..,Stenger N..,Walsh A..,...&Vesborg P.C.K..(2020).Assessing the defect tolerance of kesterite-inspired solar absorbers.Energy and Environmental Science,13(10).
MLA	Crovetto A.,et al."Assessing the defect tolerance of kesterite-inspired solar absorbers".Energy and Environmental Science 13.10(2020).