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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	17545692
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.
英文关键词	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
语种	英语
来源期刊	Energy & Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/189730
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 & Environmental Science,13(5).
MLA	Kim S.,et al."Upper limit to the photovoltaic efficiency of imperfect crystals from first principles".Energy & Environmental Science 13.5(2020).