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

	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; 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.
	2017
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C
卷号	121 期号:11 页码:5864-5870
文章类型	Article
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.
学科领域	Chemistry ; Science & Technology - Other Topics ; Materials Science
资助者	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] ; 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] ; 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] ; 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]
DOI	http://dx.doi.org/10.1021/acs.jpcc.6b11824
关键词[WOS]	HIGH-PERFORMANCE ; ORGANIC PHOTOVOLTAICS ; IONIC LIQUIDS ; CONJUGATED POLYMERS ; ELECTRON-TRANSPORT ; MORPHOLOGY ; PACKING ; DYNAMICS ; DESIGN ; AGGREGATION
语种	英语
资助者	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] ; 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] ; 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] ; 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]
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
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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