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DOI	10.1039/c6ee03654f
	Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells
	Kuzmich A.; Padula D.; Ma H.; Troisi A.
发表日期	2017
ISSN	17545692
起始页码	395
结束页码	401
卷号	10 期号:2
英文摘要	We constructed a database of 80 high performing non-fullerene electron acceptors and studied the common electronic and geometric properties in search of unifying design rules. We discovered that, without exception, all high performing materials are characterized by very low gap between LUMO and LUMO+1 orbitals, a feature that is consistent with microscopic models and seems to be true for all classes of compounds considered. We also confirmed that non-planarity of the acceptor is beneficial but not for all classes of acceptors. We suggested that by building similar databases and keeping it up to date it will be possible to identify statistically meaningful structure-property relations. © The Royal Society of Chemistry 2017.
英文关键词	Organic solar cells; Solar cells; Design rules; Electron acceptor; Electronic and Geometric Structures; Geometric properties; Microscopic models; Orbitals; Planarity; Structure property relation; Fullerenes; database; electric field; electron; geometry; photovoltaic system; solar power; trend 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/190542
作者单位	Department of Chemistry, University of Warwick, Coventry, CV4 7AL, United Kingdom; Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210023, China
推荐引用方式 GB/T 7714	Kuzmich A.,Padula D.,Ma H.,et al. Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells[J],2017,10(2).
APA	Kuzmich A.,Padula D.,Ma H.,&Troisi A..(2017).Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells.Energy & Environmental Science,10(2).
MLA	Kuzmich A.,et al."Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells".Energy & Environmental Science 10.2(2017).