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DOI	10.1039/d0ee00291g
	Upper limit to the photovoltaic efficiency of imperfect crystals from first principles
	Kim S.; Márquez J.A.; Unold T.; Walsh A.
发表日期	2020
ISSN	1754-5692
起始页码	1481
结束页码	1491
卷号	13 期号:5
英文摘要	The Shockley-Queisser (SQ) limit provides a convenient metric for predicting light-to-electricity conversion efficiency of a solar cell based on the band gap of the light-absorbing layer. In reality, few materials approach this radiative limit. We develop a formalism and computational method to predict the maximum photovoltaic efficiency of imperfect crystals from first principles. The trap-limited conversion efficiency includes equilibrium populations of native defects, their carrier-capture coefficients, and the associated recombination rates. When applied to kesterite solar cells, we reveal an intrinsic limit of 20% for Cu2ZnSnSe4, which falls far below the SQ limit of 32%. The effects of atomic substitution and extrinsic doping are studied, leading to pathways for an enhanced efficiency of 31%. This approach can be applied to support targeted-materials selection for future solar-energy technologies. © The Royal Society 2020 of Chemistry.
语种	英语
scopus关键词	Conversion efficiency; Crystals; Energy gap; Solar energy; Atomic substitutions; Carrier capture coefficients; Enhanced efficiency; Imperfect crystals; Materials selection; Photo-voltaic efficiency; Recombination rate; Solar energy technologies; Solar cells; concentration (composition); crystal structure; efficiency measurement; performance assessment; photovoltaic system
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/162563
作者单位	Department of Materials, Imperial College London, Exhibition Road, London, SW7 2AZ, United Kingdom; Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Department Structure and Dynamics of Energy Materials, Hahn-Meitner-Platz 1, Berlin, D-14109, Germany; Department of Materials Science and Engineering, Yonsei University, Seoul, 03722, South Korea
推荐引用方式 GB/T 7714	Kim S.,Márquez J.A.,Unold T.,et al. Upper limit to the photovoltaic efficiency of imperfect crystals from first principles[J],2020,13(5).
APA	Kim S.,Márquez J.A.,Unold T.,&Walsh A..(2020).Upper limit to the photovoltaic efficiency of imperfect crystals from first principles.Energy and Environmental Science,13(5).
MLA	Kim S.,et al."Upper limit to the photovoltaic efficiency of imperfect crystals from first principles".Energy and Environmental Science 13.5(2020).