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

ITP OpenIR > 计算平台成果

	Long, GK; Shi, R; Zhou, YC; Li, AL; Kan, B; Wu, WR; Jeng, US; Xu, T; Yan, TY; Zhang, MT; Yang, X; Sun, LT; Gray-Weale, A; Wan, XJ; Zhang, HT; Li, CX; Wang, YT; Chen, YS; 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.
	Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C
语种	英语
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.
	2017
卷号	121 期号:11 页码:5864-5870
学科领域	Chemistry ; Science & Technology - Other Topics ; Materials Science
DOI	http://dx.doi.org/10.1021/acs.jpcc.6b11824
项目资助者	MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; MOST [2014CB643502, 2013CB932804, 2012CB933401] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; NSF of Tianjin City [13RCGFGX01121] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257] ; PCSIRT [IRT1257]
引用统计
文献类型	期刊论文
条目标识符	http://ir.itp.ac.cn/handle/311006/22188
专题	计算平台成果
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.
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.,...&Chen, YS .(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.

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