A comparative study of PffBT4T-2OD/EH-IDTBR and PffBT4T-2OD/ PC71BM organic photovoltaic heterojunctions

doi:10.1016/j.jphotochem.2021.113225

IR > 理学院

	A comparative study of PffBT4T-2OD/EH-IDTBR and PffBT4T-2OD/ PC71BM organic photovoltaic heterojunctions
	Bai, Rui-Rong 1; Zhang, Cai-Rong1 ; Liu, Zi-Jiang 2; Lu, Xiao-Juan 1; Wu, You-Zhi3 ; Chen, Yu-Hong1 ; Chen, Hong-Shan 4
	2021-05-01
发表期刊	JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
ISSN	1010-6030
卷号	412
摘要	In order to clarify the different photovoltaic performance and burn-in degradation mechanism, the electron donor poly[(5,6- difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3'-di(2-octyldodecyl)-2, 2';5', 2 ''; 5'',2'''-quater-thiophen-5,5'-diyel] (PffBT4T-2OD), fullerene derivative acceptor [6,6]-phenyl C-71 butyric acid methyl ester (PC71BM) and the nonfullerene acceptor indacenodithiophene core flanked with benzothiadiazole and rhodanine groups with the branched (2-ethylhexyl) chains (coded as EH-IDTBR) were selected to construct PffBT4T-2OD/ EH-IDTBR and PffBT4T-2OD/PC71BM complexes as heterojunction interface models. The geometries, electronic structures, excitation properties and the rates of electron processes were extensively explored based upon quantum chemistry calculations. The results indicate that the light harvesting capability of EH-IDTBR is far better than that of PC71BM. Most of excited states of PffBT4T-2OD and EH-IDTBR exhibit intramolecular charge transfer characters. Compared with PffBT4T-2OD/PC71BM, the better planarity, stronger non-bonding interactions, and the hybrid excited states, as well as the larger electrostatic potential difference between the donor and acceptor of PffBT4T-2OD/EH-IDTBR are responsible for its better photovoltaic performance and the lower burn-in degradation. Although the rates of charge recombination of PffBT4T-2OD/EH-IDTBR complex is larger, its faster rates of exciton dissociation and charge transfer processes can be helpful to resist burn-in degradation. The results are helpful to develop novel OPV materials that are resistant to burn-in degradation.
关键词	Electronic structures Excitation Electron transfer Organic photovoltaic Heterojunction interface
DOI	10.1016/j.jphotochem.2021.113225
收录类别	SCIE ; SCOPUS
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Physical
WOS记录号	WOS:000636777900010
出版者	ELSEVIER SCIENCE SA
来源库	WOS
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://ir.lut.edu.cn/handle/2XXMBERH/148235
专题	理学院材料科学与工程学院
通讯作者	Zhang, Cai-Rong
作者单位	1.Lanzhou Univ Technol, Dept Appl Phys, Lanzhou 730050, Gansu, Peoples R China; 2.Lanzhou City Univ, Dept Phys, Lanzhou 730070, Gansu, Peoples R China; 3.Lanzhou Univ Technol, Sch Mat Sci & Engn, Lanzhou 730050, Gansu, Peoples R China; 4.Northwest Normal Univ, Coll Phys & Elect Engn, Lanzhou 730070, Gansu, Peoples R China
第一作者单位	理学院
通讯作者单位	理学院
第一作者的第一单位	理学院
推荐引用方式 GB/T 7714	Bai, Rui-Rong,Zhang, Cai-Rong,Liu, Zi-Jiang,et al. A comparative study of PffBT4T-2OD/EH-IDTBR and PffBT4T-2OD/ PC71BM organic photovoltaic heterojunctions[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,2021,412.
APA	Bai, Rui-Rong.,Zhang, Cai-Rong.,Liu, Zi-Jiang.,Lu, Xiao-Juan.,Wu, You-Zhi.,...&Chen, Hong-Shan.(2021).A comparative study of PffBT4T-2OD/EH-IDTBR and PffBT4T-2OD/ PC71BM organic photovoltaic heterojunctions.JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,412.
MLA	Bai, Rui-Rong,et al."A comparative study of PffBT4T-2OD/EH-IDTBR and PffBT4T-2OD/ PC71BM organic photovoltaic heterojunctions".JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 412(2021).