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题名: Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency
作者: 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
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
出版日期: 2017
卷号: 121, 期号:11, 页码:5864-5870
学科分类: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
DOI: http://dx.doi.org/10.1021/acs.jpcc.6b11824
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.
文章类型: Article
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.
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
关键词[WOS]: HIGH-PERFORMANCE ;  ORGANIC PHOTOVOLTAICS ;  IONIC LIQUIDS ;  CONJUGATED POLYMERS ;  ELECTRON-TRANSPORT ;  MORPHOLOGY ;  PACKING ;  DYNAMICS ;  DESIGN ;  AGGREGATION
项目资助者: MOST [2014CB643502, 2013CB932804, 2012CB933401] ;  NSFC [91433101, 51422304, 51373078, 11274319, 11421063] ;  NSF of Tianjin City [13RCGFGX01121] ;  PCSIRT [IRT1257]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/22188
Appears in Collections:理论物理所计算集群成果_计算集群论文2017

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Recommended Citation:
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.
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