理论和计算化学

有机光电子学

围绕有机光电子器件的基本物理过程，发展和应用相关理论和计算化学方法，研究有机光电功能材料的微观的分子几何与电子结构性质、分子间相互作用、介观的分子堆积形貌与结构、以及激发态和电荷动力学过程和性质，理解和建立分子结构与光电机制和性能之间的关系。

每年招收1-2名硕士/博士研究生。

常年招收联合培养研究生、本科生、博士后以及项目聘用人员，名额不限。

欢迎具有化学、物理与材料背景的感兴趣者加入我们的研究团队！

2002-09--2008-01   中国科学院化学研究所   物理化学博士学位
2000-09--2002-07   中国科学技术大学   计算机科学与技术双学士学位
1998-09--2002-07   中国科学技术大学   高分子材料与工程学士学位

2012-12--现在，中国科学院化学研究所，中国科学院有机固体重点实验室，研究员
2008-03--2012-11，美国佐治亚理工学院，化学系，博士后

详细信息：
http://www.researcherid.com/rid/B-7025-2014
https://www.researchgate.net/profile/Yuanping_Yi2

近期主要发表论文：

1. The Nature of Excited States in Dipolar Donor/Fullerene Complexes for Organic Solar Cells: Evolution with the Donor Stack Size
   Shen, Xingxing; Han, Guangchao; Yi, Yuanping*
   Physical Chemistry Chemical Physics, 2016, 18(23): 15955-15963
2. Revealing the Influence of Solvent Evaporation Rate and Thermal Annealing on Molecular Packing and Charge Transport of DPP(TBFu)₂
   Han, Guangchao; Shen, Xingxing; Duan, Ruihong; Geng, Hua; Yi, Yuanping*
   Journal of Materials Chemistry C, 2016, 4(21): 4654-4661
3. The Impact of Interlayer Electronic Coupling on Charge Transport in Organic Semiconductors: A Case Study on Titanylphthalocyanine Single Crystals
   Zhang, Zongpeng; Jiang, Lang; Cheng, Changli; Zhen, Yonggang*; Zhao, Guangyao; Geng, Hua; Yi, Yuanping*; Li, Liqiang; Dong, Huanli; Shuai, Zhigang; Hu, Wenping*
   Angewandte Chemie International Edition, 2016, 55(17): 5206-5209
4. Flexible n-Type High-Performance Thermoelectric Thin Films of Poly(nickel-ethylenetetrathiolate) Prepared by an Electrochemical Method
   Sun, Yuanhui; Qiu, Lin; Tang, Liangpo; Geng, Hua; Wang, Hanfu; Zhang, Fengjiao; Huang, Dazhen; Xu, Wei*; Yue, Peng; Guan, Ying-shi; Jiao, Fei; Sun, Yimeng; Tang, Dawei; Di, Chong-an; Yi, Yuanping*; Zhu, Daoben*
   Advanced Materials, 2016, 28(17): 3351-3358
5. Hot Charge-Transfer States Determine Exciton Dissociation in the DTDCTB/C₆₀ Complex for Organic Solar Cells: A Theoretical Insight
   Shen, Xingxing; Han, Guangchao; Fan, Di; Xie, Yujun; Yi, Yuanping*
   Journal of Physical Chemistry C, 2015, 119(21): 11320-11326
6. Deposition Growth and Morphologies of C₆₀ on DTDCTB Surfaces: An Atomistic Insight into the Integrated Impact of Surface Stability, Landscape, and Molecular Orientation
   Han, Guangchao; Shen, Xingxing; Yi, Yuanping*
   Advanced Materials Interfaces, 2015, 2(17): 1500329
7. Ambipolar charge-transport properties in 4,10-dihalogenated anthanthrone crystals: a theoretical study
   Tu, Zeyi; Huang, Xuri*; Yi, Yuanping*
   Journal of Materials Chemistry C, 2015, 3(9): 1913-1921
8. Understanding the Charge Transport and Polarities in Organic Donor-Acceptor Mixed-Stack Crystals: Molecular Insights from the Super-Exchange Couplings
   Geng, Hua; Zheng, Xiaoyan; Shuai, Zhigang*; Zhu, Lingyun; Yi, Yuanping*
   Advanced Materials, 2015, 27(8): 1443-1449
9. Tuning the Crystal Polymorphs of Alkyl Thienoacene via Solution Self-Assembly Toward Air-Stable and High-Performance Organic Field-Effect Transistors
   He, Ping; Tu, Zeyi; Zhao, Guangyao; Zhen, Yonggang*; Geng, Hua; Yi, Yuanping*; Wang, Zongrui; Zhang, Hantang; Xu, Chunhui; Liu, Jie; Lu, Xiuqiang; Fu, Xiaolong; Zhao, Qiang; Zhang, Xiaotao; Ji, Deyang; Jiang, Lang; Dong, Huanli; Hu, Wenping*
   Advanced Materials, 2015, 27(5): 825-830
10. A Cofacially Stacked Electron-Deficient Small Molecule with a High Electron Mobility of over 10 cm²V⁻¹s⁻¹in Air
    Dou, Jin-Hu; Zheng, Yu-Qing; Yao, Ze-Fan; Lei, Ting; Shen, Xingxing; Luo, Xu-Yi; Yu, Zhi-Ao; Zhang, Shi-Ding; Han, Guangchao; Wang, Zhi; Yi, Yuanping*; Wang, Jie-Yu; Pei, Jian*
    Advanced Materials, 2015, 27(48): 8051-8055
11. Fine-Tuning of Crystal Packing and Charge Transport Properties of BDOPV Derivatives through Fluorine Substitution
    Dou, Jin-Hu^#; Zheng, Yu-Qing^#; Yao, Ze-Fan; Yu, Zhi-Ao; Lei, Ting; Shen, Xingxing; Luo, Xu-Yi; Sun, Junliang; Zhang, Shi-Ding; Ding, Yi-Fan; Han, Guangchao; Yi, Yuanping*; Wang, Jie-Yu*; Pei, Jian*
    Journal of the American Chemical Society, 2015, 137(50): 15947-15956
12. Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission
    Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping*; Zhu, Xiaozhang*
    Journal of the American Chemical Society, 2015, 137(35): 11294-11302
    

主持或参加的科研项目：

1. 国家自然科学基金面上项目，有机分子半导体的非局域电声子耦合：声子色散与二阶电声子相互作用的影响，2014-01--2017-12，主持
2. 国家自然科学基金重大研究计划培育项目，高效有机太阳能电池给受体界面激子分离过程的理论研究，2014-01--2016-12，主持
3. 科技部973计划项目，高效有机/聚合物太阳电池材料与器件研究，2014-01--2018-12，参加
4. 中国科学院战略性先导B项目，功能pi-体系的分子工程，2014-07--2019-06，参加