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DOI	10.1039/d1ee00260k
	Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: The actual role of cation disorder
	Chen W.; Dahliah D.; Rignanese G.-M.; Hautier G.
发表日期	2021
ISSN	17545692
起始页码	3567
结束页码	3578
卷号	14 期号:6
英文摘要	The controversial role of cation disorder in the extraordinarily low open-circuit voltage (VOC) of the Cu2ZnSnS4(CZTS) kesterite absorber is examined through a statistical treatment of disorder within the cluster-expansion method. It is demonstrated that the extensive Cu-Zn disorder alone cannot be responsible for the large Urbach tails observed in many CZTS solar cells. While the band gap is reduced as a result of the Gaussian tails formed near the valence-band edge due to Cu clustering, band-gap fluctuations contribute only marginally to theVOCdeficit, thereby excluding Cu-Zn disorder as the primary source of the low efficiency of CZTS devices. On the other hand, the extensive disorder stabilizes the formation of SnZnantisite and its defect complexes, which as nonradiative recombination and minority carrier trapping centers dominate theVOCloss in CZTS. Our analysis indicates that current CZTS devices might have already approached the maximum conversion efficiency (14%) given the limited growth conditions and the remnant cation disorder even after postannealing. In view of the improved efficiency achieved with CZTS-derived kesterite absorbers, the methodology presented in this work offers an avenue to understanding and optimizing these emerging kesterite solar devices towards higher efficiency. © The Royal Society of Chemistry 2021.
英文关键词	Binary alloys; Charge carriers; Conversion efficiency; Efficiency; Energy gap; Open circuit voltage; Positive ions; Solar absorbers; Tin compounds; Cluster expansion method; Czts solar cells; Growth conditions; Higher efficiency; Minority carrier; Non-radiative recombinations; Statistical treatment; Valence band edges; Solar cells; acidification; complexation; copper; copper compound; energy efficiency; fuel cell; kesterite; statistical analysis
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/190650
作者单位	Institute of Condensed Matter and Nanoscicence (IMCN), Université catholique de Louvain, Louvain-la-Neuve, 1348, Belgium; Thayer School of Engineering, Dartmouth College, Hanover, New Hampshire 03755, United States
推荐引用方式 GB/T 7714	Chen W.,Dahliah D.,Rignanese G.-M.,et al. Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: The actual role of cation disorder[J],2021,14(6).
APA	Chen W.,Dahliah D.,Rignanese G.-M.,&Hautier G..(2021).Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: The actual role of cation disorder.Energy & Environmental Science,14(6).
MLA	Chen W.,et al."Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: The actual role of cation disorder".Energy & Environmental Science 14.6(2021).