| 不同桥联二噻吩低带隙给受体共聚物的电子结构和光物理性质的理论研究 |
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| 引用本文： | 段雨爱,耿允,李海斌,杨国春,吴水星,郝立柱,廖奕,苏忠民.不同桥联二噻吩低带隙给受体共聚物的电子结构和光物理性质的理论研究[J].高等学校化学学报,2011,32(4):920-926. |
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| 作者姓名： | 段雨爱 耿允 李海斌 杨国春 吴水星 郝立柱 廖奕 苏忠民 |
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| 作者单位： | 首都师范大学化学系;东北师范大学化学学院功能材料化学研究所;东北师范大学数学与统计学院应用统计教育部重点实验室; |
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| 基金项目： | 国家自然科学基金(批准号:20903020,20703008); “长江学者和创新团队发展计划”项目(批准号:IRT0714); 国家“九七三”计划项目(批准号:2009CB623605)资助 |
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| 摘 要： | 通过计算吸收光谱性质区分用于体异质结聚合物太阳能电池的两种不同桥联低带隙给受体共聚物PCPDTBT和PSBTBT激发态特征的差异,进而通过电荷转移态(CT)特征考察二者实现电荷分离的难易程度.利用密度泛函理论的B3LYP和CAM-B3LYP方法计算PSBTBT和PCPDTBT(n=1～4)的电子结构和光谱性质.结果表明...
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| 关 键 词： | 二噻吩 低带隙 太阳能电池 光物理性质 密度泛函理论 |
| 收稿时间： | 2010-09-07 |
Theoretical Study on Electronic Structure and Photophysical Properties of Low Band Gap Dithiophene Copolymer with Different Bridging Atoms |
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| DUAN Yu-Ai,GENG Yun,LI Hai-Bin,YANG Guo-Chun,WU Shui-Xing,HAO Li-Zhu,LIAO Yi,SU Zhong-Min.Theoretical Study on Electronic Structure and Photophysical Properties of Low Band Gap Dithiophene Copolymer with Different Bridging Atoms[J].Chemical Research In Chinese Universities,2011,32(4):920-926. |
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| Authors: | DUAN Yu-Ai GENG Yun LI Hai-Bin YANG Guo-Chun WU Shui-Xing HAO Li-Zhu LIAO Yi SU Zhong-Min |
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| Institution: | DUAN Yu-Ai1,2,GENG Yun2,LI Hai-Bin2,YANG Guo-Chun2,WU Shui-Xing2,HAO Li-Zhu3,LIAO Yi1,SU Zhong-Min2 (1.College of Chemistry,Capital Normal University,Beijing 100048,China,2.Institute of Functional Material Chemistry,Faculty of Chemistry,Northeast Normal University,Changchun 130024,3.Key Laboratory for Applied Statistics,Ministry of Education,Faculty of Mathematics,China) |
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| Abstract: | The excited state characteristics of two low band gap donor-acceptor copolymers with different bridging atoms used in bulk heterojunction solar cells were analyzed through their absorption spectra.The charge transfer state features were investigated to distinguish their abilities of charge separations.The electronic structures and spectral properties of PSBTBT and PCPDTBT(n=1-4) were investigated based on density functional theory(DFT) and time-dependent density functional theory(TD-DFT).The results show th... |
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| Keywords: | Dithiophene Low band gap Solar cell Photophysical property Density functional theory |
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