Regulating coordination by multi-configurational alkaloid-based passivation molecules for high-performance perovskite photovoltaics

doi:10.1016/j.cej.2022.139535

	Regulating coordination by multi-configurational alkaloid-based passivation molecules for high-performance perovskite photovoltaics
	Wu, Weiwei 2,3; Dong, Xinhe 2,3; Liu, Guozhen 1; Pan, Xu 1; Zheng, Haiying 2,3
刊名	CHEMICAL ENGINEERING JOURNAL
	2023-01-15
卷号	452
关键词	Perovskite solar cells Alkaloid Electron cloud density Defect passivation Photovoltaic performance
ISSN号	1385-8947
DOI	10.1016/j.cej.2022.139535
通讯作者	Liu, Guozhen(gzliu@issp.ac.cn) ; Zheng, Haiying(hyzheng@ahu.edu.cn)
英文摘要	Abundant defects in polycrystalline perovskite will destroy the photovoltaic performance and accelerate the degradation of perovskite solar cells (PSCs). The development of effective management for multiple defects is obviously important to promote the practical application of perovskite photovoltaics. Herein, we firstly intro-duced the strategy of employing natural alkaloid passivation agents (adenine and cytosine) to achieve the directed management of lead-and iodide-based defects. Owing to the various configurations of alkaloid mole-cules, the electron cloud density distributions for different functional groups display adjustable characteristic, which closely related to the passivation effect. As a result, the C--O with high electron density can form stronger Pb-O coordination with uncoordinated Pb2+ rather than the Pb-N bond (imidazole ring with Pb2+), leading to fewer lead-based defects being generated. The stronger electron-withdrawing ability of the C--O further pro-motes the hydrogen bond of -NH2 and I -/Br- to reduce I -/Br- vacancies. Finally, the devices with cytosine perform the champion PCE of 22.07 % and dramatically enhance open-circuit voltage (Voc = 1.19 V), as well as much better environmental stability. This work provides a new insight on rationally design the non-toxic, cheap and accessible passivation molecules structure for achieving the efficient and stable PSCs.
资助项目	National Natural Science Foundation of China ; Natural Science Foundation of Anhui Province ; China Postdoctoral Science Foundation ; [52102196] ; [2008085QE208] ; [2108085QE190] ; [2021M693213]
WOS关键词	STABLE SOLAR-CELLS ; EFFICIENT ; STABILITY
WOS研究方向	Engineering
语种	英语
出版者	ELSEVIER SCIENCE SA
WOS记录号	WOS:000871061500001
资助机构	National Natural Science Foundation of China ; Natural Science Foundation of Anhui Province ; China Postdoctoral Science Foundation
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/129857]
专题	中国科学院合肥物质科学研究院
通讯作者	Liu, Guozhen; Zheng, Haiying
作者单位	1.Chinese Acad Sci, Key Lab Photovolta & Energy Conservat Mat, Inst Solid State Phys, Hefei Inst Phys Sci, Hefei 230031, Peoples R China 2.Anhui Univ, Inst Informat Technol, Hefei 230601, Peoples R China 3.Anhui Univ, Inst Phys Sci, Hefei 230601, Peoples R China
推荐引用方式 GB/T 7714	Wu, Weiwei,Dong, Xinhe,Liu, Guozhen,et al. Regulating coordination by multi-configurational alkaloid-based passivation molecules for high-performance perovskite photovoltaics[J]. CHEMICAL ENGINEERING JOURNAL,2023,452.
APA	Wu, Weiwei,Dong, Xinhe,Liu, Guozhen,Pan, Xu,&Zheng, Haiying.(2023).Regulating coordination by multi-configurational alkaloid-based passivation molecules for high-performance perovskite photovoltaics.CHEMICAL ENGINEERING JOURNAL,452.
MLA	Wu, Weiwei,et al."Regulating coordination by multi-configurational alkaloid-based passivation molecules for high-performance perovskite photovoltaics".CHEMICAL ENGINEERING JOURNAL 452(2023).