Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency

doi:http://dx.doi.org/10.1021/acs.jpcc.6b11824

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	Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency
	Long, GK; Shi, R; Zhou, YC; Li, AL; Kan, B; Wu, WR; Jeng, US; Xu, T; Yan, TY; Zhang, MT
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2017
卷号	121 期号:11 页码:5864-5870
DOI	http://dx.doi.org/10.1021/acs.jpcc.6b11824
英文摘要	Understanding the origin of different morphologies in bulk-heterojunction solar cells can provide effective guidelines to rational control of the morphologies in the active layer. Here, we have uncovered the importance of molecular interactions on the morphologies for not only donor materials but also for fiillerene acceptors in organic solar cells through the multiscale coarse-graining molecular dynamic simulations at the real device level (similar to 83 nm x 83 nm x 83 nm). It is found that oligothiophene donors with polar end groups could not only facilitate the formation of continuous donor network but also promote the aggregation and connection of fullerenes toward efficient hole and electron transport. On the contrary, fullerenes are well dispersed at the molecule levels in the less polar oligothiophene matrix and thus contribute to the poor electron transport mobility and device performance, which is consistent with the observed differences in both morphology and charge transport properties of these two systems. These results would provide effective guidelines for the rational molecule design and morphology control to further enhance the device performance of organic solar cells.
学科主题	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/22101]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Chen, YS (reprint author), Nankai Univ, Sch Mat Sci & Engn, Collaborat Innovat Ctr Chem Sci & Engn, State Key Lab & Inst Elemento Organ Chem, Tianjin 300071, Peoples R China.; Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 E Zhongguancun Rd,P Box 2735, Beijing 100190, Peoples R China.
推荐引用方式 GB/T 7714	Long, GK,Shi, R,Zhou, YC,et al. Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2017,121(11):5864-5870.
APA	Long, GK.,Shi, R.,Zhou, YC.,Li, AL.,Kan, B.,...&Wang, YT .(2017).Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency.JOURNAL OF PHYSICAL CHEMISTRY C,121(11),5864-5870.
MLA	Long, GK,et al."Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency".JOURNAL OF PHYSICAL CHEMISTRY C 121.11(2017):5864-5870.