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2019年发表论文

189.   Heteroatom substitution-induced asymmetric A–D–A type non-fullerene acceptor for efficient organic solar cells
Li, Chao; Song, Jiali; Cai, Yunhao; Han, Guangchao; Zheng, Wenyu; Yi, Yuanping; Ryu, Hwa Sook; Woo, Han Young; Sun, Yanming*
Journal of Energy Chemistry, 2020, 40: 144-150

188.   Conformational and Aggregation Properties of PffBT4T Polymers: Atomistic Insight into the Impact of Alkyl-Chain Branching Positions
Ning, Lu; Han, Guangchao*; Yi, Yuanping*
Journal of Materials Chemistry C, DOI: 10.1039/C9TC05145G

187.   Selenium-substituted DPP Polymer for High Performance p-Type Organic Thermoelectric Materials
Ding, Jiamin#; Liu, Zitong#; Zhao, Wenrui; Jin, Wenlong; Xiang, Lanyi; Wang, Zhijie; Zeng, Yan; Zou, Ye; Zhang, Fengjiao; Yi, Yuanping; Diao, Ying; R. McNeill, Christopher; Di, Chong-an*; Zhang, Deqing*; Zhu, Daoben
Angewandte Chemie International Edition, DOI: 10.1002/anie.201911058

186.   Electronic polarization in dipolar organic molecular semiconductors: The case study of 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene crystal
Ma, Xiaoyi; Yi, Yuanping*
Chinese Chemical Letters, DOI: 10.1016/j.cclet.2019.05.024

185.   Angular-Fused Dithianaphthylquinone Derivative: Selective Synthesis, Thermally Activated Delayed Fluorescence Property, and Application in Organic Light-Emitting Diode
Liu, Jianjun; Li, Zhiyi; Hu, Taiping; Wei, Xiaofang; Wang, Ruifang; Hu, Xiaoxiao; Gao, Honglei; Liu, Guanhao; Yi, Yuanping*; Yamada-Takamura, Yukiko; Lee, Chun-Sing; Wang, Pengfei; Wang, Ying*
Organic Letters, 2019, 21(21): 8832-8836

184.   Rational Tuning of Molecular Interaction and Energy Level Alignment Enables High-Performance Organic Photovoltaics
Wang, Rui#; Yuan, Jun#; Wang, Rui; Han, Guangchao; Huang, Tianyi; Huang, Wenchao; Xue, Jingjing; Wang, Hao-Cheng; Zhang, Chunfeng; Zhu, Chenhui; Cheng, Pei; Meng, Dong; Yi, Yuanping*; Wei, Kung-Hwa; Zou, Yingping*; Yang, Yang*
Advanced Materials, 2019, 31(43): 1904215

183.   Phthalimide-based “D–N–A” emitters with thermally activated delayed fluorescence and isomer-dependent room-temperature phosphorescence properties
Zhang, Liang; Li, Meng; Hu, Tai-Ping; Wang, Yin-Feng; Shen, Yi-Fan; Yi, Yuan-Ping; Lu, Hai-Yan*; Gao, Qing-Yu*; Chen, Chuan-Feng*
Chemical Communications, 2019, 55(81): 12172-12175

182.   Nature of the Lowest Singlet and Triplet Excited States of Organic Thermally Activated Delayed Fluorescence Emitters: A Self-Consistent Quantum Mechanics/Embedded Charge Study
Tu, Zeyi; Han, Guangchao; Hu, Taiping; Duan, Ruihong; Yi, Yuanping*
Chemistry of Materials, 2019, 31(17), 6665-6671

181.   Super-Exchange Induced Charge Transport in Organic Donor-Acceptor Cocrystals and Copolymers: A Theoretical Perspective
Geng, Hua; Zhu, Lingyun; Yi, Yuanping*; Zhu, Daoben; Shuai, Zhigang*
Chemistry of Materials, 2019, 31 (17), 6424-6434

180.   Achieving Small Exciton Binding Energies in Small Molecule Acceptors for Organic Solar Cells: Effect of Molecular Packing
Zhu, Lingyun; Tu, Zeyi; Yi, Yuanping*; Wei, Zhixiang*
Journal of Physical Chemistry Letters, 2019, 10(17): 4888-4894

179.   Identification of FeN4 as an Efficient Active Site for Electrochemical N2 Reduction
He, Chao#; Wu, Ze-Yuan#; Zhao, Lu; Ming, Mei; Zhang, Yun*; Yi, Yuanping; Hu, Jin-Song*
ACS Catalysis, 2019, 9(8): 7311-7317

178.   Origin of Photocurrent and Voltage Losses in Organic Solar Cells
Han, Guangchao; Yi, Yuanping*
Advanced Theory and Simulations, 2019, 2(8): 1900067

177.   Thermal-Driven Phase Separation of Double-Cable Polymers Enables Efficient Single-Component Organic Solar Cells
Feng, Guitao; Li, Junyu; He, Yakun; Zheng, Wenyu; Wang, Jing; Li, Cheng*; Tang, Zheng; Osvet, Andres; Li, Ning; Brabec, Christoph J.; Yi, Yuanping; Yan, He; Li, Weiwei*
Joule, 2019, 3(7): 1765-1781

176.   Synthesis and Supramolecular Assembly of a Terrylene Diimide Derivative Decorated With Long Branched Alkyl Chains
Guo, Zongxia*; Zhang, Xiao; Zhang, Lu; Wang, Yujiao; Feng, Weisheng; Sun, Kai; Yi, Yuanping; Li, Zhibo*
Frontiers in Chemistry, 2019, 7: 473

175.   Cyclohexyl-Substituted Anthracene Derivatives for High Thermal Stability Organic Semiconductors
Dong, Yicai; Guo, Yuan; Zhang, Hantang; Shi, Yanjun; Zhang, Jing; Li, Haiyang; Liu, Jie*; Lu, Xiuqiang; Yi, Yuanping; Li, Tao*; Hu, Wenping; Jiang, Lang*
Frontiers in Chemistry, 2019, 7: 11 

174.   Impact of polymorphism on the optoelectronic properties of a low-bandgap semiconducting polymer
Li, Mengmeng; Balawi, Ahmed Hesham; Leenaers, Pieter J.; Ning, Lu; Heintges, Gaël H. L.; Marszalek, Tomasz; Pisula, Wojciech; Wienk, Martijn M.; Meskers, Stefan C. J.; Yi, Yuanping; Laquai, Frédéric; Janssen, René A. J.*
Nature Communications, 2019, 10: 2867

173.   Sulfur vs. tellurium: the heteroatom effects on the nonfullerene acceptors
Yang, Lei; Qin, Linqing; Xu, Yunxiao; Zhang, Huotian; Lv, Lei; Chen, Kepeng; Sui, Xinyu; Zhong, Yangguang; Guo, Yuan; Gao, Feng*; Zhao, Jianzhang; Li, Yuhao; Liu, Xinfeng*; Yi, Yuanping*; Lu, Xinhui; Peng, Aidong; Huang, Hui*
Science China Chemistry, 2019, 62(7): 897-903

172.   Local Excitation/Charge Transfer Hybridization Simultaneously Promotes Charge Generation and Reduces Non-Radiative Voltage Loss in Non-Fullerene Organic Solar Cells
Han, Guangchao; Yi, Yuanping*
Journal of Physical Chemistry Letters, 2019, 10(11): 2911-2918

171.   Electronic and optical properties of π-bridged perylenediimide derivatives: the role of π-bridges
Guo, Yuan; Han, Guangchao; Tu, Zeyi; Yi, Yuanping*
Journal of Materials Chemistry A, 2019, 7(20): 12532-12537

170.   Substitution Conformation Balances the Oscillator Strength and Singlet–Triplet Energy Gap for Highly Efficient D–A–D Thermally Activated Delayed Fluorescence Emitters
Wei, Xiaofang; Li, Zhiyi; Hu, Taiping; Duan, Ruihong; Liu, Jianjun; Wang, Ruifang; Liu, Yanwei; Hu, Xiaoxiao; Yi, Yuanping*; Wang, Pengfei; Wang, Ying*
Advanced Optical Materials, 2019, 7(11): 1801767

169.   Solution-processed white organic light-emitting diodes with bi-component emitting layer based on symmetry blue spiro-sulfone derivative
Wang, Ruifang; Liu, Yanwei; Hu, Taiping; Wei, Xiaofang; Liu, Jianjun; Li, Zhiyi; Hu, Xiaoxiao; Yi, Yuanping*; Wang, Pengfei; Wang, Ying*
Organic Electronics, 2019, 71: 24-30

168.   Intermolecular Interaction-Induced Thermally Activated Delayed Fluorescence Based on a Thiochromone Derivative
Liu, Jianjun#; Hu, Taiping#; Li, Zhiyi; Wei, Xiaofang; Hu, Xiaoxiao; Gao, Honglei; Liu, Guanhao; Yi, Yuanping*; Yamada-Takamura, Yukiko; Lee, Chun-Sing; Wang, Pengfei; Wang, Ying*
Journal of Physical Chemistry Letters, 2019, 10(8): 1888-1893

167.   Experimental Evidence for "Hot Exciton" Thermally Activated Delayed Fluorescence Emitters
Liu, Jianjun; Li, Zhiyi; Hu, Taiping; Wei, Xiaofang; Wang, Ruifang; Hu, Xiaoxiao; Liu, Yanwei; Yi, Yuanping*; Yamada-Takamura, Yukiko; Wang, Ying*; Wang, Pengfei
Advanced Optical Materials, 2019, 7(4): 1801190

166.   Preparation and structure study of phosphorus-doped porous graphdiyne and its efficient lithium storage application
Shen, Xiangyan; Li, Xiaodong; Zhao, Fuhua*; Wang, Ning*; Xie, Chipeng; He, Jianjiang; Si, Wenyan; Yi, Yuanping; Yang, Ze; Li, Xiaofang; Lu, Fushen; Huang, Changshui*
2D Materials, 2019, 6(3): 035020

165.   Organic Semiconducting Alloys with Tunable Energy Levels
Dou, Jin-hu; Yu, Zhi-Ao; Zhang, Jun; Zheng, Yu-Qing; Yao, Ze-Fan; Tu, Zeyi; Wang, Xinchang; Huang, Shiliang; Liu, Chengwen; Sun, Junliang; Yi, Yuanping; Cao, Xiaoyu; Gao, Yiqin; Wang, Jie-Yu; Pei, Jian*
Journal of the American Chemical Society, 2019, 141(16): 6561-6568

164.   Air-Stable n-Type Thermoelectric Materials Enabled by Organic Diradicaloids
Yuan, Dafei; Guo, Yuan; Zeng, Yan; Fan, Qingrui; Wang, Jianjun; Yi, Yuanping; Zhu, Xiaozhang*
Angewandte Chemie International Edition, 2019, 58(15): 4958-4962

163.   High-Performance Ambipolar Polymers Based on Electron-Withdrawing Group Substituted Bay-Annulated Indigo
Yang, Jie; Jiang, Yaqian; Tu, Zeyi; Zhao, Zhiyuan; Chen, Jinyang; Yi, Zhengran; Li, Yifan; Wang, Shuai*; Yi, Yuanping*; Guo, Yunlong*; Liu, Yunqi*
Advanced Functional Materials, 2019, 29(7): 1804839

162.   Improving the Electron Mobility of ITIC by End-Group Modulation: The Role of Fluorination and π-extension
Han, Guangchao; Guo, Yuan; Ning, Lu; Yi, Yuanping*
Solar RRL, 2019, 3(1): 1800251

161.   Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions
Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun*; Li, Yuliang
Journal of the American Chemical Society, 2019, 141(1): 48-52

160.   High-Yield and Damage-free Exfoliation of Layered Graphdiyne in Aqueous Phase
Yan, Hailong; Yu, Ping*; Han, Guangchao; Zhang, Qinghua; Gu, Lin; Yi, Yuanping*; Liu, Huibiao; Li, Yuliang*; Mao, Lanqun*
Angewandte Chemie International Edition, 2019, 58(3): 746-750

159.   Isomery‐Dependent Miscibility Enables High‐Performance All‐Small‐Molecule Solar Cells
Wu, Hao; Fan, Haijun*; Xu, Shengjie; Ye, Long; Guo, Yuan; Yi, Yuanping; Ade, Harald; Zhu, Xiaozhang*
Small, 2019, 15(1): 1804271

         158.   Electronic, optical, and charge transport properties of A-π-A electron acceptors for organic solar cells: Impact of anti-aromatic π structures
Zeng, Yan; Duan, Ruihong; Guo, Yuan; Han, Guangchao; Li, Qingxu*; Yi, Yuanping*
Chinese Chemical Letters, 2019, 30(1): 211-216

157.   Impact of alkyl chain branching positions on molecular packing and electron transport of dimeric perylenediimide derivatives
Guo, Yuan; Han, Guangchao; Yi, Yuanping*
Journal of Energy Chemistry, 2019, 35: 138-143


2018年发表论文

156.   Origin of High Efficiencies for Thermally Activated Delayed Fluorescence OLEDs: Atomistic Insight into Molecular Orientation and Torsional Disorder
Hu, Taiping; Han, Guangchao; Tu, Zeyi; Duan, Ruihong; Yi, Yuanping*
Journal of Physical Chemistry C, 2018, 122(48): 27191-27197

155.   Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver–Sulfur Networks
Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang*; Xu, Wei*; Zhu, Daoben*
Journal of the American Chemical Society, 2018, 140(45): 15153-15156

154.   Atomistic Insight into Donor/Acceptor Interfaces in High-efficiency Nonfullerene Organic Solar Cells
Han, Guangchao; Guo, Yuan; Ma, Xiaoyi; Yi, Yuanping*
Solar RRL, 2018, 2(11): 1800190

153.   Rationalizing Small-Molecule Donor Design Toward High-Performance Organic Solar Cells: Perspective from Molecular Architectures
Han, Guangchao; Yi, Yuanping*
Advanced Theory and Simulations, 2018, 1(11): 1800091

152.   Fluoride graphdiyne as free-standing electrode displaying ultra-stable and extraordinary high Li storage performance
He, Jianjiang; Wang, Ning; Yang, Ze; Shen, Xiangyan; Wang, Kun; Huang, Changshui*; Yi, Yuanping; Tu, Zeyi; Li, Yuliang*
Energy & Environmental Science, 2018, 11(10): 2893-2903

151.   From Molecular Packing Structures to Electronic Processes: Theoretical Simulations for Organic Solar Cells
Han, Guangchao; Yi, Yuanping*; Shuai, Zhigang*
Advanced Energy Materials, 2018, 8(28): 1702743

150.   Exciton Binding Energies of Non-Fullerene Small Molecule Acceptors: Implication for Exciton Dissociation Driving Forces in Organic Solar Cells
Zhu, Lingyun*; Yi, Yuanping*; Wei, Zhixiang
Journal of Physical Chemistry C, 2018, 122(39): 22309-22316

149.   Suppressing Charge Recombination in Small-Molecule Ternary Organic Solar Cells by Modulating Donor–Acceptor Interfacial Arrangements
Wang, Zhen#; Han, Guangchao#; Zhu, Lingyun*; Guo, Yuan; Yi, Yuanping*; Shuai, Zhigang; Wei, Zhixiang
Physical Chemistry Chemical Physics, 2018, 20(38): 24570-24576
 (selected as 2018 PCCP HOT Article)

148.   Effect of Functional Group Position Change of Pyridinesulfonic Acid as Interface-Modified Layer on Perovskite Solar Cell
Han, Fei; Tu, Zeyi; Wan, Zhongquan; Luo, Junsheng; Xia, Jianxing; Hao, Guimin; Yi, Yuanping; Wang, Ruilin; Jia, Chunyang*
Applied Surface Science, 2018, 462: 517-525

147.   Spectroscopic Study of Charge Transport at Organic Solid-water Interface
Zhang, Yu; Han, Guangchao; Qin, Minchao; Shen, Yujie; Lu, Xinhui; Yi, Yuanping; Zhao, Ni*
Chemistry of Materials, 2018, 30(15): 5422-5428

146.   Copolymers of Bis-Diketopyrrolopyrrole and Benzothiadiazole Derivatives for High-Performance Ambipolar Field-Effect Transistors on Flexible Substrates
Chen, Jinyang#; Jiang, Yingying#; Yang, Jie#; Sun, Yunlong; Shi, Longxian; Ran, Yang; Zhang, Qingsong; Yi, Yuanping; Wang, Shuai; Guo, Yunlong*; Liu, Yunqi*
ACS Applied Materials & Interfaces, 2018, 10(31): 25858-25865

145.   Bottom-up growth of n-type monolayer molecular crystals on polymeric substrate for optoelectronic device applications
Shi, Yanjun; Jiang, Lang*; Liu, Jie; Tu, Zeyi; Hu, Yuanyuan; Wu, Qinghe; Yi, Yuanping; Gann, Eliot; McNeill, Christopher R.; Li, Hongxiang; Hu, Wenping*; Zhu, Daoben; Sirringhaus, Henning*
Nature Communications, 2018, 9: 2933

144.   Boosting the electron mobilities of dimeric perylenediimides by simultaneously enhancing intermolecular and intramolecular electronic interactions
Guo, Yuan; Han, Guangchao; Duan, Ruihong; Geng, Hua; Yi, Yuanping*
Journal of Materials Chemistry A, 2018, 6(29): 14224-14230
 (selected as 2018 Journal of Materials Chemistry A HOT Paper)

143.   Effect of Donor Length on the Electronic Structures and Charge Transport Polarity for DTDPP-based D-A Copolymers: a Computational Study Based on Super-Exchange Model
He, feifei; Cheng, Changli; Geng, Hua*; Yi, Yuanping; Shuai, Zhigang*
Journal of Materials Chemistry A, 2018, 6(25): 11985-11993

142.   Optimized Fibril Network Morphology by Precise Side‐Chain Engineering to Achieve High‐Performance Bulk‐Heterojunction Organic Solar Cells
Liu, Tao; Huo, Lijun; Chandrabose, Sreelakshmi; Chen, Kai; Han, Guangchao; Qi, Feng; Meng, Xiangyi; Xie, Dongjun; Ma, Wei; Yi, Yuanping; Hodgkiss Justin, M.; Liu, Feng; Wang, Jing; Yang, Chuluo; Sun, Yanming*
Advanced Materials, 2018, 30(26): 1707353

141.   A nonfullerene acceptor utilizing a novel asymmetric multifused-ring core unit for highly efficient organic solar cells
Li, Chao; Xie, Yuanpeng; Fan, Bingbing; Han, Guangchao; Yi, Yuanping*; Sun, Yanming*
Journal of Materials Chemistry C, 2018, 6(18): 4873-4877

140.   Charge Mobility Enhancement for Conjugated DPP-selenophene Polymer by Simply Replacing One Bulky Branching Alkyl Chain with Linear One at Each DPP Unit
Wang, Zhijie; Liu, Zitong*; Ning, Lu; Xiao, Mingfei; Yi, Yuanping; Cai, Zhengxu; Sadhanala, Aditya; Zhang, Guanxin; Chen, Wei; Sirringhaus, Henning; Zhang, Deqing*
Chemistry of Materials, 2018, 30(9): 3090-3100

139.   Regulation of Excitation Transitions by Molecular Design Endowing Full-Color-Tunable Emissions with Unexpected High Quantum Yields for Bioimaging Application
Liu, Feng; Li, Shengliang; Duan, Ruihong; Qiu, Shuhai; Yi, Yuanping*; Wang, Shu*; Zhu, Xiaozhang*
Science China Chemistry, 2018, 61(4): 418-426

138.   Anchoring zero valence single atoms of nickel and iron on graphdiyne for hydrogen evolution
Xue, Yurui; Huang, Bolong; Yi, Yuanping; Guo, Yuan; Zuo, Zicheng; Li, Yongjun; Jia, Zhiyu; Liu, Huibiao; Li, Yuliang*
Nature Communications, 2018, 9: 1460

137.   MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials
Niu, Yingli#; Li, Wenqiang#; Peng, Qian*; Geng, Hua; Yi, Yuanping; Wang, Linjun; Nan, Guangjun; Wang, Dong; Shuai, Zhigang*
Molecular Physics, 2018, 116(7-8): 1078-1090

136.   Synthesis, Electronic Structure of Boron-Graphdiyne with sp Carbon Skeleton and Its Application in Sodium Storage
Wang, Ning#; Li, Xiaodong#; Tu, Zeyi#; Zhao, Fuhua; He, Jianjiang; Guan, Zhaoyong; Huang, Changshui*; Yi, Yuanping; Li, Yuliang*
Angewandte Chemie International Edition, 2018, 57(15): 3968-3973

135.   Highly efficient white light-emitting diodes with a bi-component emitting layer based on blue and yellow thermally activated delayed fluorescence emitters
Chen, Yongzhen; Li, Shengyong; Hu, Taiping; Wei, Xiaofang; Li, Zhiyi; Liu, Yanwei; Liu, Jianjun; Wang, Ruifang; Yi, Yuanping; Zhao, Cuihua*; Wang, Ying*; Wang, Pengfei
Journal of Materials Chemistry C, 2018, 6(12): 2951-2956

134.   Highly efficient blue organic light-emitting diodes from pyrimidine-based thermally activated delayed fluorescence emitters
Li, Bowen#; Li, Zhiyi#; Hu, Taiping; Zhang, Yong*; Wang, Ying*; Yi, Yuanping; Guo, Fengyun; Zhao, Liancheng

Journal of Materials Chemistry C, 2018, 6(9): 2351-2359
  

133.   Decay of the Lowest Triplet State in Singlet Fission Molecular Materials: A Case Study on Quinoidal Bithiophenes
Duan, Ruihong; Peng, Qian; Shen, Xingxing; Han, Guangchao; Guo, Yuan; Zeng, Yan; Yi, Yuanping*
Journal of Physical Chemistry C, 2018, 122(7): 3748-3755

132.   Tunable Electron Donating and Accepting Properties Achieved by Modulating the Steric Hindrance of Side Chains in A-D-A Small-molecule Photovoltaic Materials
Liu, Delong; Yang, Liyan; Wu, Yang; Wang, Xiaohui; Zeng, Yan; Han, Guangchao; Yao, Huifeng; Li, Sunsun; Zhang, Shaoqing; Zhang, Yun; Yi, Yuanping; He, Chang*; Ma, Wei*; Hou, Jianhui*
Chemistry of Materials
2018, 30(3): 619-628

131.   Novel π-Conjugated Polymer Based on Extended Thienoquinoid
Cai, Yunhao; Xue, Xiaonan; Han, Guangchao; Bi, Zhaozhao; Fan, Bingbing; Liu, Tao; Xie, Dongjun; Huo, Lijun*; Ma, Wei; Yi, Yuanping; Yang, Chuluo; Sun, Yanming*
Chemistry of Materials, 2018, 30(2): 319-323

130.   Molecular Dual-Rotators with Large Consecutive Emission Chromism for Visualized and High-Pressure Sensing
Tan, Kangming; Zeng, Yan; Su, Lei; Wang, Shuangqing; Guo, Xudong; Li, Qingxu; Xie, Linghai; Qian, Yan*; Yi, Yuanping*; Huang, Wei; Yang, Guoqiang*
ACS Omega, 2018, 3(1): 717-723

129.   Design of antibacterial peptide-like conjugated molecule with broad spectrum antimicrobial ability
Chen, Hui; Li, Meng; Liu, Zhang; Hu, Rong; Li, Shengliang; Guo, Yuan; Lv, Fengting*; Liu, Libing; Wang, Yilin; Yi, Yuanping; Wang, Shu*
Science China Chemistry, 2018, 61(1): 113-117
 

128.   Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study
Tu, Zeyi; Yi, Yuanping*; Coropceanu, Veaceslav*; Brédas, Jean-Luc
Journal of Physical Chemistry C, 2018, 122(1): 44-49

127.   Tuning transport performance in two-dimensional metal-organic framework semiconductors: Role of the metal d band
Tang, Liang-Po; Tang, Li-Ming*; Geng, Hua*; Yi, Yuan-Ping; Wei, Zhongming; Chen, Ke-Qiu; Deng, Hui-Xiong*
Applied Physics Letters, 2018, 112(1): 012101

126.   N-doped Graphdiyne for High-Performance Electrochemical Electrodes
Shang, Hong; Zuo, Zicheng*; Zheng, Haiyan; Li, Kuo; Tu, Zeyi; Yi, Yuanping; Liu, Huibiao; Li, Yongjun; Li, Yuliang*
Nano Energy, 2018, 44: 144-154


2017年发表论文

125.   Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method
Jiang, Shengshi; Zheng, Jie; Yi, Yuanping; Xie, Yu*; Yuan, Feng*; Lan, Zhenggang*
Journal of Physical Chemistry C, 2017, 121(49): 27263-27273

124.   Role of halogen...halogen interaction in the 2D crystallization of n-semiconductors at the liquid-solid interface
Guo, Zongxia*; Yu, Ping; Sun, Kai; Lei, Sheng-Bin; Yi, Yuanping; Li, Zhibo*
Physical Chemistry Chemical Physics, 2017, 19(47): 31540-31544

123.   Triplet decay-induced negative temperature dependence of the transient photoluminescence decay of thermally activated delayed fluorescence emitter
Wei, Xiaofang; Chen, Yongzhen; Duan, Ruihong; Liu, Jianjun; Wang, Ruifang; Liu, Yanwei; Li, Zhiyi; Yi, Yuanping*; Yamada-Takamura, Yukiko; Wang, Pengfei; Wang, Ying*
Journal of Materials Chemistry C, 2017, 5(46): 12077-12084
 (selected as 2017 Journal of Materials Chemistry C HOT Paper)

122.   Insertion of double bond π-bridges of A-D-A acceptor for high performance near-infrared polymer solar cells
Li, Xiaojun; Yan, Tinghai; Bin, Haijun; Han, Guangchao; Xue, Lingwei; Liu, Feng*; Yi, Yuanping; Zhang, Zhi-Guo*; Russell, Thomas P.; Li, Yongfang*
Journal of Materials Chemistry A, 2017, 5(43): 22588-22597

121.   An Amidine-Type n-Dopant for Solution-Processed Field-Effect Transistors and Perovskite Solar Cells
Hu, Lin; Liu, Tiefeng; Duan, Jiashun; Ma, Xiaoyi; Ge, Congwu; Jiang, Youyu; Qin, Fei; Xiong, Sixing; Jiang, Fangyuan; Hu, Bin; Gao, Xike; Yi, Yuanping; Zhou, Yinhua*
Advanced Functional Materials, 2017, 27(41): 1703254

120. Impact of Linear Alkyl Length on Assembly of Twisted Perylene Bisimides: from Molecular Arrangement to Nanostructures
Guo, Zongxia*; Wang, Kun; Yu, Ping; Wang, Xiangnan; Lan, Shusha; Sun, Kai; Yi, Yuanping; Li, Zhibo*
Chemistry – An Asian Journal, 2017, 12(21): 2827-2833

120.   Impact of Linear Alkyl Length on Assembly of Twisted Perylene Bisimides: from Molecular Arrangement to Nanostructures
Guo, Zongxia*; Wang, Kun; Yu, Ping; Wang, Xiangnan; Lan, Shusha; Sun, Kai; Yi, Yuanping; Li, Zhibo*
Chemistry – An Asian Journal, 2017, 12(21): 2827-2833
119.   Hydrogen substituted graphdiyne as carbon-rich flexible electrode for lithium and sodium ion batteries
He, Jianjiang#; Wang, Ning#; Cui, Zili; Du, Huiping; Fu, Lin; Huang, Changshui*; Yang, Ze; Shen, Xiangyan; Yi, Yuanping; Tu, Zeyi; Li, Yuliang*
Nature Communications, 2017, 8: 1172

118.   Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility
Gali, Sai Manoj; D'Avino, Gabriele; Aurel, Philippe; Han, Guangchao; Yi, Yuanping; Papadopoulos, Theodoros A.; Coropceanu, Veaceslav; Brédas, Jean-Luc; Hadziioannou, Georges; Zannoni, Claudio; Muccioli, Luca*
Journal of Chemical Physics, 2017, 147(13): 134904

117.   Isoindigo-Based Polymers with Small Effective Masses for High-Mobility Ambipolar Field-Effect Transistors
Yang, Jie#; Zhao, Zhiyuan#; Geng, Hua#; Cheng, Changli; Chen, Jinyang; Sun, Yunlong; Shi, Longxian; Yi, Yuanping; Shuai, Zhigang; Guo, Yunlong*; Wang, Shuai*; Liu, Yunqi*
Advanced Materials, 2017, 29(36): 1702115

116.   Deep-Red to Near-Infrared Thermally Activated Delayed Fluorescence in Organic Solid Films and Electroluminescent Devices
Li, Chenglong; Duan, Ruihong; Liang, Baoyan; Han, Guangchao; Wang, Shipan; Ye, Kaiqi; Liu, Yu*; Yi, Yuanping*; Wang, Yue*
Angewandte Chemie International Edition, 2017, 56(38): 11525-11529

115.   Synthesis of Chlorine-substituted Graphdiyne and Its Application for Lithium-ion Storage
Wang, Ning; He, Jianjiang; Tu, Zeyi; Yang, Ze; Zhao, Fuhua; Li, Xiaodong; Huang, Changshui*; Wang, Kun; Jiu, Tonggang; Yi, Yuanping; Li, Yuliang
Angewandte Chemie International Edition, 2017, 56(36): 10740-10745

114.   Nitrogen-doped Porous Graphdiyne: a Highly Efficient Metal-free Electrocatalyst for Oxygen Reduction Reaction
Lv, Qing#; Si, Wenyan#; Yang, Ze; Wang, Ning; Tu, Zeyi; Yi, Yuanping; Huang, Changshui*; Jiang, Li; Zhang, Mingjia; He, Jianjiang; Long, Yunze
ACS Applied Materials & Interfaces, 2017, 2017, 9(35): 29744-29752.

113.   Aromatic-Imide-Based Thermally Activated Delayed Fluorescence Materials for Highly Efficient Organic Light-Emitting Diodes
Li, Meng*; Liu, Yanwei; Duan, Ruihong; Wei, Xiaofang; Yi, Yuanping; Wang, Ying*; Chen, Chuan-Feng*
Angewandte Chemie International Edition, 2017, 56(30): 8818-8822

112.   Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule
Peng, Qian; Fan, Di; Duan, Rui-Hong; Yi, Yuanping*; Niu, Yingli; Wang, Dong; Shuai, Zhigang*
Journal of Physical Chemistry C, 2017, 121(25): 13448-13456

111.   Achieving Highly Efficient Non-fullerene Organic Solar Cells with Improved Intermolecular Interaction and Open-circuit Voltage
Yao, Huifeng; Ye, Long; Hou, Junxian; Jang, Bomee; Han, Guangchao; Cui, Yong; Su, Gregory; Wang, Cheng; Gao, Bowei; Yu, Runnan; Zhang, Hao; Yi, Yuanping*; Woo, Han Young*; Ade, Harald*; Hou, Jianhui*
Advanced Materials, 2017, 29(12): 1700254

110.   Critical Role of Molecular Symmetry for Charge Transport Properties: A Paradigm Learned from Quinoidal Bithieno[3,4-b]thiophenes
Ren, Longbin; Yuan, Dafei; Gann, Eliot; Guo, Yuan; Thomsen, Lars; McNeill, Christopher R.; Di, Chong-an; Yi, Yuanping; Zhu, Xiaozhang*; Zhu, Daoben
Chemistry of Materials, 2017, 29(11): 4999-5008

109.   Role of the Dark 2Ag State in the Donor-Acceptor Copolymers as Pathway for Singlet Fission: a DMRG Study
Ren, Jiajun; Peng, Qian; Zhang, Xu; Yi, Yuanping; Shuai, Zhigang*
Journal of Physical Chemistry Letters, 2017, 8(10): 2175-2181

108.   Shape-Controlled Metal-Free Catalysts: Facet-Sensitive Catalytic Activity Induced by the Arrangement Pattern of Noncovalent Supramolecular Chains
Geng, Guangwei; Chen, Penglei*; Guan, Bo; Jiang, Lang; Xu, Zhongfei; Di, Dawei; Tu, Zeyi; Hao, Weichang; Yi, Yuanping; Chen, Chuncheng; Liu, Ming Hua; Hu, Wenping
ACS Nano, 2017, 11(5): 4866-4876

107.   Terminal π-π Stacking Determines Three-Dimensional Molecular Packing and Isotropic Charge Transport in an A-[small pi]-A Electron Acceptor for Non-Fullerene Organic Solar Cells
Han, Guangchao; Guo, Yuan; Song, Xiaoxian; Wang, Yue; Yi, Yuanping*
Journal of Materials Chemistry C, 2017, 5(20): 4852-4857
(selected as 2017 Journal of Materials Chemistry C HOT paper)

106.   Importance of side-chain anchoring atoms on electron donor/fullerene interfaces for high-performance organic solar cells
Han, Guangchao; Guo, Yuan; Duan, Ruihong; Shen, Xingxing; Yi, Yuanping*
Journal of Materials Chemistry A, 2017, 5(19): 9316-9321

105.   Thermally populated "bright" states for wide-range and high temperature sensing in air
Fang, Qiyun; Li, Jiewei; Li, Shayu; Duan, Ruihong; Wang, Shuangqing; Yi, Yuanping; Guo, Xudong; Qian, Yan*; Huang, Wei*; Yang, Guoqiang*
Chemical Communications, 2017, 53(42): 5702-5705

104.   Super-exchange-Induced High Performance Charge Transport in Donor-Acceptor Copolymers
Cheng, Changli; Geng, Hua*; Yi, Yuanping; Shuai, Zhigang*
Journal of Materials Chemistry C, 2017, 5(13): 3247-3253

103.   Synthesis, Physical Properties and Memory Device Application of Twelve-Ring Fused Twistheteroacene
Duan, Jingdan; Gu, Pei-yang; Xiao, Jinchong*; Shen, Xingxing; Liu, Xiaoyu; Yi, Yuanping; Zhang, Qichun*
Chemistry – An Asian Journal, 2017, 12(6): 638-642

102.   Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States
Liu, Junzi; Zhang, Yong; Bao, Peng; Yi, Yuanping*
Journal of Chemical Theory and Computation, 2017, 13(2): 843-851

101.   Low temperature, atmospheric pressure for synthesis of a new carbon Ene-yne and application in Li storage
Jia, Zhiyu; Zuo, Zicheng*; Yi, Yuanping; Liu, Huibiao; Li, Dan; Li, Yongjun*; Li, Yuliang*
Nano Energy, 2017, 33: 343-349

100.   Charge transport in organic donor-acceptor mixed-stack crystals: the role of nonlocal electron-phonon couplings
Zhu, Lingyun*; Geng, Hua; Yi, Yuanping*; Wei, Zhixiang
Physical Chemistry Chemical Physics, 2017, 19(6): 4418-4425

99.   A novel angularly fused bistetracene: facile synthesis, crystal packing and single-crystal field effect transistors
Wang, Zunzhi; Li, Rongjin; Chen, Yulan; Tan, Yuan-Zhi; Tu, Zeyi; Gao, Xuejiao J.; Dong, Huanli; Yi, Yuanping; Zhang, Yu; Hu, Wenping*; Müllen, Klaus*; Chen, Long*
Journal of Materials Chemistry C, 2017, 5(6): 1308-1312


2016年发表论文

98.   Self-catalyzed growth of Cu@graphdiyne core–shell nanowires array for high efficient hydrogen evolution cathode
Xue, Yurui; Guo, Yuan; Yi, Yuanping; Li, Yongjun; Liu, Huibiao; Li, Dan; Yang, Wensheng*; Li, Yuliang*
Nano Energy, 2016, 30: 858-866

97.   Induction of Strong Long-Lived Room-Temperature Phosphorescence of N-Phenyl-2-naphthylamine Molecules by Confinement in a Crystalline Dibromobiphenyl Matrix
Wei, Jinbei; Liang, Baoyan; Duan, Ruihong; Cheng, Zong; Li, Chenglong; Zhou, Tianlei*; Yi, Yuanping*; Wang, Yue*
Angewandte Chemie International Edition, 2016, 55(50): 15589-15593

96.   Ternary Organic Solar Cells Based on Two Compatible Nonfullerene Acceptors with Power Conversion Efficiency >10%
Liu, Tao; Guo, Yuan; Yi, Yuanping; Huo, Lijun; Xue, Xiaonan; Sun, Xiaobo; Fu, Huiting; Xiong, Wentao; Meng, Dong; Wang, Zhaohui; Liu, Feng*; Russell, Thomas P.; Sun, Yanming*
Advanced Materials, 2016, 28(45): 10008-10015

95.   Reduction of the singlet-triplet energy gap of a thermally activated delayed fluorescence emitter by molecular interaction between the host and the emitter
Xie, Lisha; Han, Guangchao; Chen, Yongzhen; Wang, Hui; Kong, Xiangbin; Wei, Xiaofang; Liu, Jianjun; Yi, Yuanping; Chen, Biqiang; Wang, Pengfei; Wang, Ying*
Journal of Materials Chemistry C, 2016, 4(46): 10776-10780

94.   Inner space perturbation theory in matrix product states: Replacing expensive iterative diagonalization
Ren, Jiajun; Yi, Yuanping; Shuai, Zhigang*
Journal of Chemical Theory and Computation, 2016, 12(10): 4871-4878

93.   Multiscale description of molecular packing and electronic processes in small-molecule organic solar cells
Shen, Xing-Xing#; Han, Guang-Chao#; Yi, Yuan-Ping*
Chinese Chemical Letters, 2016, 27(8): 1453-1463

92.   Determine the Role of Alkyl Chains and Hydrogen Bonds in the Assembling Process of Fused Thiophene Indacene Derivatives by Scanning Tunneling Microscopy and Theoretical Calculation
Liu, Zhi-Fei; Xu, Huan; Duan, Rui-Hong; Yang, Zhi-Yong*; Zhang, Hao-Li*; Yi, Yuan-Ping*
Journal of Physical Chemistry C, 2016, 120(38): 21699-21703

91.   Bismuth Interfacial Doping of Organic Small Molecules for High Performance n-type Thermoelectric Materials
Huang, Dazhen; Wang, Chao; Zou, Ye; Shen, Xingxing; Zang, Yaping; Shen, Hongguang; Gao, Xike; Yi, Yuanping; Xu, Wei; Di, Chong-an*; Zhu, Daoben*
Angewandte Chemie International Edition, 2016, 55(36): 10672-10675

90.   Effect of the mismatch structure on crystal packing, physical properties and third-order nonlinearity of unsymmetrical twistacenes
Chen, Shulian; Xiao, Jinchong*; Zhang, Xi; Shen, Xingxing; Liu, Xiaoyu; Shen, Fugang; Yi, Yuanping; Song, Yinglin*
Dyes and Pigments, 2016, 134: 9-18

89.   Understanding the efficiency drooping of the deep blue organometallic phosphors: a computational study of radiative and non-radiative decay rates for triplets
Peng, Qian; Shi, Qinghua; Niu, Yingli; Yi, Yuanping*; Sun, Shaorui; Li, Wenqiang; Shuai, Zhigang*
Journal of Materials Chemistry C, 2016, 4(28): 6829-6838

88.   Organic Cocrystal Photovoltaic Behavior: A Model System to Study Charge Recombination of C60 and C70 at the Molecular Level
Zhang, Hantang; Jiang, Lang; Zhen,Yonggang*; Zhang, Jing; Han, Guangchao; Zhang, Xiaotao; Fu, Xiaolong; Yi,Yuanping*; Xu,Wei*; Dong, Huanli; Chen,Wei; Hu, Wenping*; Daoben Zhu
Advanced Electronic Materials, 2016, 2(6): 1500423

87.   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

86.   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

85.    High mobility multibit nonvolatile memory elements based organic field effect transistors with large hysteresis
Zhang, Yong*; Lang, Caili; Fan, Jingze; Shi, Lei; Yi, Yuanping; Yu, Qingjiang; Guo, Fengyun; Wang, Jinzhong; Zhao, Liancheng
Organic Electronics, 2016, 35: 53-58

84.   Remarkable enhancement of charge carrier mobility of conjugated polymer field-effect transistors upon incorporating an ionic additive
Luo, Hewei; Yu, Chenmin; Liu, Zitong*; Zhang, Guanxin; Geng, Hua; Yi, Yuanping; Broch, Katharina; Hu, Yuanyuan; Sadhanala, Aditya; Jiang, Lang; Qi, Penglin; Cai, Zhengxu; Sirringhaus, Henning*; Zhang, Deqing*
Science Advances, 2016, 2(5): e1600076

83.   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

82.   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

81.   High Conductive Two-Dimensional Covalent Organic Framework for Lithium Storage with Large Capacity
Yang, Hui; Zhang, Shengliang; Han, Liheng; Zhang, Zhou; Xue, Zheng; Gao, Juan; Li, Yongjun; Huang, Changshui; Yi, Yuanping; Liu, Huibiao*; Li, Yuliang
ACS Applied Materials & Interfaces, 2016, 8(8): 5366-5375

80.   Novel colorimetric and fluorescent off-on enantiomers with high selectivity for Fe3+ imaging in living cells
Fan, Chunhua; Huang, Ximing; Han, Liheng; Lu, Zhengliang*; Wang, Zhuo*; Yi, Yuanping*
Sensors and Actuators B: Chemical, 2016, 224: 592-599

79.   Recovery of Au(III) by radiation synthesized aminomethyl pyridine functionalized adsorbents based on cellulose
Dong, Zhen; Liu, Junzi; Yuan, Weijin; Yi, Yuanping; Zhao, Long*
Chemical Engineering Journal, 2016, 283: 504-513

78.   Twistacene functionalized anthracenes with high-efficiency blue fluorescence
Ren, Tiejun; Song, Minshun; Zhao, Jianwen; Wang, Wenying; Shen, Xingxing; Gao, Chang; Yi, Yuanping*; Xiao, Jinchong*
Dyes and Pigments, 2016, 125: 356-361


2015年发表论文

77.   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

76.   A Cofacially Stacked Electron-Deficient Small Molecule with a High Electron Mobility of over 10 cm2 V−1 s−1 in 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

75.   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

74.   Synthesis, Single Crystal and Physical Properties of Asymmetrical Thiophene/Selenophene-fused Twistacenes
Lv, Bo; Shen, Xingxing; Xiao, Jinchong*; Duan, Jingdan; Wang, Xuefei; Yi, Yuanping*
Chemistry – An Asian Journal, 2015, 10(12): 2677-2682

73.   Unusual Aggregation-Induced Emission of a Coumarin Derivative as a Result of the Restriction of Intramolecular Twisting Motion
Bu, Fan; Duan, Ruihong; Xie, Yujun; Yi, Yuanping; Peng, Qian*; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong*
Angewandte Chemie International Edition, 2015, 54(48): 14492-14497

72.   "H"-like Organic Nanowire Heterojunctions Constructed from Cooperative Molecular Assembly for Photonic Applications
Yao, Wei; Han, Guangchao; Huang, Fu; Chu, Manman; Peng, Qian; Hu, Fengqin; Yi, Yuanping; Jiang, Hua; Yao, Jiannian; Zhao, Yong Sheng*
Advanced Science, 2015, 2(11): 1500130

71.   Influences of Conjugation Extent on the Aggregation-Induced Emission Quantum Efficiency in Silole Derivatives: A Computational Study
Xie, Yujun; Zhang, Tian; Li, Zhen; Peng, Qian*; Yi, Yuanping; Shuai, Zhigang*
Chemistry – An Asian Journal, 2015, 10(10): 2154-2161

70.   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

69.   A fast-response, fluorescent 'turn-on' chemosensor for selective detection of Cr3+
Fan, Chunhua; Huang, Ximing; Black, Cory A.; Shen, Xingxing; Qi, Junjie; Yi, Yuanping; Lu, Zhengliang*; Nie, Yong; Sun, Guoxin*
RSC Advances, 2015, 5(86): 70302-70308

68.   Highly Efficient Orange and Red Phosphorescent Organic Light-Emitting Diodes with Low Roll-Off of Efficiency using a Novel Thermally Activated Delayed Fluorescence Material as Host
Wang, Hui; Meng, Lingqiang; Shen, Xingxing; Wei, Xiaofang; Zheng, Xiuli; Lv, Xiaopeng; Yi, Yuanping; Wang, Ying*; Wang, Pengfei*
Advanced Materials, 2015, 27(27): 4041-4047

67.   A two-dimensional π-d conjugated coordination polymer with extremely high electrical conductivity and ambipolar transport behavior
Huang, Xing; Sheng, Peng; Tu, Zeyi; Zhang, Fengjiao; Wang, Junhua; Geng, Hua; Zou, Ye; Di, Chong-an; Yi, Yuanping; Sun, Yimeng; Xu, Wei*; Zhu, Daoben*
Nature Communications, 2015, 6: 7408

66.   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

65.   Solvent Effects on the Optical Spectra and Excited-State Decay of triphenylamine-thiadiazole with Hybridized Local Excitation and Intramolecular Charge Transfer
Fan, Di; Yi, Yuanping; Li, Zhendong; Liu, Wenjian; Peng, Qian*; Shuai, Zhigang*
Journal of Physical Chemistry A, 2015,119(21): 5233-5240

64.   The Position Effect of Ethynyl Spacer on Carrier Mobility of Anthracene Derivatives
Zhang, Xiaotao; Zhao, Guangyao; Zhen, Yonggang; Tu, Zeyi; He, Ping; Yi, Yuanping; Dong, Huanli; Hu, Wenping*
Journal of Materials Chemistry C, 2015, 3(21): 5368-5371

63.   Precisely Tailoring the Stoichiometric Stacking of Perylene-TCNQ Co-Crystals towards Different Nano and Microstructures with Varied Optoelectronic Performances
Zhu, Weigang; Yi, Yuanping; Zhen, Yonggang*; Hu, Wenping*
Small, 2015, 11(18): 2150-2156

62.   Graphdiyne Oxides as Excellent Substrate for Electroless Deposition of Pd Clusters with High Catalytic Activity
Qi, Hetong; Yu, Ping; Wang, Yuexiang; Han, Guangchao; Liu, Huibiao; Yi, Yuanping; Li, Yuliang; Mao, Lanqun*
Journal of the American Chemical Society, 2015, 137(16): 5260-5263

61.   Linked-Acceptor Type Conjugated Polymer for High Performance Organic Photovoltaics with an Open-Circuit Voltage Exceeding 1 V
Xia, Benzheng; Lu, Kun*; Zhao, Yifan; Zhang, Jianqi; Yuan, Liu; Zhu, Lingyun; Yi, Yuanping; Wei, Zhixiang*
Advanced Science, 2015, 2(4): 1500021

60.   A cross-dipole stacking molecule of an anthracene derivative: integrating optical and electrical properties
Liu, Jie; Meng, Lingqiang; Zhu, Weigang; Zhang, Congcong; Zhang, Hantang; Yao, Yifan; Wang, Zongrui; He, Ping; Zhang, Xiaotao; Wang, Ying; Zhen, Yonggang; Dong, Huanli; Yi, Yuanping; Hu, Wenping*
Journal of Materials Chemistry C, 2015, 3(13): 3068-3071

59.   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

58.   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

57.   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

56.   From Dark TICT State to Emissive quasi-TICT State: The AIE Mechanism of N-(3-(benzo[d]oxazol-2-yl)phenyl)-4-tert-butylbenzamide
Li, Jiewei; Qian, Yan*; Xie, Linghai; Yi, Yuanping*; Li, Wenwen; Huang, Wei*
Journal of Physical Chemistry C, 2015, 119(4): 2133-2141


2014年发表论文

55.   Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination
Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping*; Zhu, Xiaozhang*
Organic Letters, 2014, 16(18): 4924-4927

54.   Adlayer Structure of Shape-Persistent Macrocycle Molecules: Fabrication and Tuning Investigated with Scanning Tunneling Microscopy
Huang, Wei; Zhao, Tian-Yue; Wen, Ming-Wei; Yang, Zhi-Yong*; Xu, Wei*; Yi, Yuan-Ping*; Xu, Li-Ping*; Wang, Zhi-Xiang; Gu, Zhan-Jun
Journal of Physical Chemistry C, 2014, 118(13): 6767-6772

53.   Impact of Electron Delocalization on the Nature of the Charge-Transfer States in Model Pentacene/C60 Interfaces: A Density Functional Theory Study
Yang, Bing; Yi, Yuanping; Zhang, Cai-Rong; Aziz, Saadullah G.; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Journal of Physical Chemistry C, 2014, 118(48): 27648-27656

52.   Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review
Fu, Yao-Tsung; Yi, Yuanping; Coropceanu, Veaceslav; Risko, Chad; Aziz, Saadullah G.; Bredas, Jean-Luc*
Science China Chemistry, 2014, 57(10): 1330-1339

51.   Rationalization of the selectivity in the optimization of processing conditions for high-performance polymer solar cells based on the polymer self-assembly ability
Yan, Han; Zhu, Lingyun*; Li, Denghua; Zhang, Yajie; Yi, Yuanping; Yang, Yanlian; Wei, Zhixiang*; Bredas, Jean-Luc
Journal of Physical Chemistry C, 2014, 118(51): 29473-29481

50.   Solution-processed small molecules based on indacenodithiophene for high performance thin-film transistors and organic solar cells
Tang, Wenli; Huang, Dazhen; He, Chang*; Yi, Yuanping; Zhang, Jing; Di, Chongan*; Zhang, Zhanjun*; Li, Yongfang*
Organic Electronics, 2014, 15(6): 1155-1165

49.   Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals
Zhu, Lingyun; Yi, Yuanping; Fonari, Alexandr; Corbin, Nathan S.; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Journal of Physical Chemistry C, 2014, 118(26): 14150-14156

48.   Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport
Li, Yuan; Yi, Yuanping; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Physical Review B, 2014, 90(24): 245112

47.   Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study
Zheng, Xiaoyan; Geng, Hua; Yi, Yuanping; Li, Qikai; Jiang, Yuqian; Wang, Dong*; Shuai, Zhigang*
Advanced Functional Materials, 2014, 24(35): 5531-5540

46.   Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers
Gao, Xing; Geng, Hua; Peng, Qian; Ren, Jiajun; Yi, Yuanping; Wang, Dong; Shuai, Zhigang*
Journal of Physical Chemistry C, 2014, 118(13): 6631-6640

45.   Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach
Xi, Jinyang; Wang, Dong; Yi, Yuanping; Shuai, Zhigang*
Journal of Chemical Physics, 2014, 141(3): 034704

44.   Novel Thermally Activated Delayed Fluorescence Materials-Thioxanthone Derivatives and Their Applications for Highly Efficient OLEDs
Wang, Hui; Xie, Lisha; Peng, Qian; Meng, Lingqiang; Wang, Ying*; Yi, Yuanping; Wang, Pengfei*
Advanced Materials, 2014, 26(30): 5198-5204

43.   Nitrogen-doped graphdiyne as a metal-free catalyst for high-performance oxygen reduction reactions
Liu, Rongji; Liu, Huibiao; Li, Yuliang; Yi, Yuanping; Shang, Xinke; Zhang, Shuangshuang; Yu, Xuelian; Zhang, Suojiang; Cao, Hongbin; Zhang, Guangjin*
Nanoscale, 2014, 6(19): 11336-11343


2013年发表论文

42.   Solution-Processable Organic Molecule Photovoltaic Materials with Bithienyl-benzodithiophene Central Unit and Indenedione End Groups
Shen, Suling; Jiang, Pei; He, Chang*; Zhang, Jing; Shen, Ping; Zhang, Yi; Yi, Yuanping*; Zhang, Zhanjun; Li, Zhibo; Li, Yongfang*
Chemistry of Materials, 2013, 25(11): 2274-2281

41.   A facile strategy to enhance absorption coefficient and photovoltaic performance of two-dimensional benzo [1,2-b:4,5-b']dithiophene and thieno[3,4-c]pyrrole-4,6-dione polymers via subtle chemical structure variations
Lu, Kun; Fang, Jin; Yan, Han; Zhu, Xiangwei; Yi, Yuanping*; Wei, Zhixiang*
Organic Electronics, 2013, 14(10): 2652-2661

40.   Intrinsic charge transport in single crystals of organic molecular semiconductors: A theoretical perspective
Coropceanu, Veaceslav; Li, Yuan; Yi, Yuanping; Zhu, Lingyun; Bredas, Jean-Luc*
MRS Bulletin, 2013, 38(1): 57-64

39.   Thiepin-fused heteroacenes: Simple synthesis, unusual structure, and semiconductors with less anisotropic behavior
Cai, Zhengxu; Zhang, Hantang; Geng, Hua; Liu, Zitong*; Yang, Sifen; Luo, Hewei; Jiang, Lang; Peng, Qian; Zhang, Guanxin; Chen, Jianming; Yi, Yuanping; Hu, Wenping; Zhang, Deqing*
Chemistry - A European Journal, 2013, 19(43): 14573-14580

38.   Electronic and charge-transport properties of the Au3(CH3N=COCH3)3 crystal: A density functional theory study
Zhu, Lingyun; Coropceanu, Veaceslav; Yi, Yuanping; Chilukuri, Bhaskar; Cundari, Thomas R.; Bredas, Jean-Luc*
Journal of Physical Chemistry Letters, 2013, 4(13): 2186-2189
 


2009-2012年发表论文

37.   Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Gamma-point approximation
Yi, Yuanping; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Journal of Chemical Physics, 2012, 137(16): 164303

36.   Charge-Transport Parameters of Acenedithiophene Crystals: Realization of One-, Two-, or Three-Dimensional Transport Channels through Alkyl and Phenyl Derivatizations
Yi, Yuanping; Zhu, Lingyun; Bredas, Jean-Luc*
Journal of Physical Chemistry C, 2012, 116(8): 5216-5225

35.   Prediction of Remarkable Ambipolar Charge-Transport Characteristics in Organic Mixed-Stack Charge-Transfer Crystals
Zhu, Lingyun; Yi, Yuanping; Li, Yuan; Kim, Eung-Gun; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Journal of the American Chemical Society, 2012, 134(4): 2340-2347

34.   Symmetry effects on nonlocal electron-phonon coupling in organic semiconductors
Li, Yuan; Yi, Yuanping; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Physical Review B, 2012, 85(24): 245201

33.   The Impact of Molecular Orientation on the Photovoltaic Properties of a Phthalocyanine/Fullerene Heterojunction
Rand, Barry P.*; Cheyns, David; Vasseur, Karolien; Giebink, Noel C.; Mothy, Sebastien; Yi, Yuanping; Coropceanu, Veaceslav; Beljonne, David; Cornil, Jerome; Bredas, Jean-Luc; Genoe, Jan
Advanced Functional Materials, 2012, 22(14): 2987-2995

32.   Controlled Conjugated Backbone Twisting for an Increased Open-Circuit Voltage while Having a High Short-Circuit Current in Poly(hexylthiophene) Derivatives
Ko, Sangwon; Hoke, Eric T.; Pandey, Laxman; Hong, Sanghyun; Mondal, Rajib; Risko, Chad; Yi, Yuanping; Noriega, Rodrigo; McGehee, Michael D.; Bredas, Jean-Luc; Salleo, Alberto; Bao, Zhenan*
Journal of the American Chemical Society, 2012, 134(11): 5222-5232

31.   A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells
Yi, Yuanping; Coropceanu, Veaceslav; Bredas, Jean-Luc*
Journal of Materials Chemistry, 2011, 21(5): 1479-1486

30.   An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices
Meng, Lingyi; Wang, Dong; Li, Qikai; Yi, Yuanping; Bredas, Jean-Luc; Shuai, Zhigang*
Journal of Chemical Physics, 2011, 134(12): 124102

29.   Charge Transfer in Molecular Complexes with 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ): A Density Functional Theory Study
Zhu, Lingyun; Kim, Eung-Gun*; Yi, Yuanping; Bredas, Jean-Luc*
Chemistry of Materials, 2011, 23(23): 5149-5159

28.   Charge-Transport Properties of the Tetraphenylbis(indolo[1,2-a])quinoline and 5,7-Diphenylindolo[1,2-a]quinoline Crystals
Zhu, Lingyun; Kim, Eung-Gun; Yi, Yuanping; Ahmed, Eilaf; Jenekhe, Samson A Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Journal of Physical Chemistry C, 2010, 114(48): 20401-20409

27.   Synthesis and third-order optical nonlinearities of nickel complexes of 8-hydroxyquinoline derivatives
Qian, Yan*; Cai, Minmin; Wang, Shuangqing; Yi, Yuanping; Shuai, Zhigang; Yang, Guoqiang*
Optics Communications, 2010, 283(10): 2228-2233

26.   Exciton-Dissociation and Charge-Recombination Processes in Pentacene/C-60 Solar Cells: Theoretical Insight into the Impact of Interface Geometry
Yi, Yuanping; Coropceanu, Veaceslav*; Bredas, Jean-Luc*
Journal of the American Chemical Society, 2009, 131(43): 15777-15783
 


2003-2008年发表论文

 25.   Theoretical designs of molecular photonics materials
Yi, Yuanping; Zhu, Lingyun; Shuai, Zhigang*
Macromolecular Theory and Simulations, 2008, 17(1): 12-22

24.   Local approach to coupled cluster evaluation of polarizabilities for long conjugated molecules
Li, Qingxu; Yi, Yuanping; Shuai, Zhigang*
Journal of Computational Chemistry, 2008, 29(10): 1650-1655

23.   Multiphoton absorption in expanded porphyrins
He, Yuan-Hang; Hui, Ren-Jie; Yi, Yuan-Ping; Shuai, Zhi-Gang*
Acta Physico - Chimica Sinica, 2008, 24(4): 565-5702.

22.   Exciton binding energy of electronic polymers: a first principles study
Zhu, Lingyun; Yi, Yuanping; Chen, Liping; Shuai, Zhigang*
Journal of Theoretical and Computational Chemistry, 2008, 7(4): 517-530

21.   Theoretically rational designs of transport organic semiconductors based on heteroacenes
He, Yuan-Hang; Hui, Ren-Jie; Yi, Yuan-Ping; Shuai, Zhi-Gang*
Chinese Journal of Chemistry, 2008, 26(6): 1005-1010

20.   Improving the efficiency of solution processable organic photovoltaic devices by a star-shaped molecular geometry
He, Chang; He, Qingguo*; Yi, Yuanping; Wu, Guanglong; Bai, Fenglian; Shuai, Zhigang; Li, Yongfang*
Journal of Materials Chemistry, 2008, 18(34): 4085-4090

19.   Effects of donor/acceptor strengths on the multiphoton absorption: An EOM-CCSD correction vector study
Yi, Yuanping; Li, Qingxu; Zhu, Lingyun; Shuai, Zhigang*
Journal of Physical Chemistry A, 2007, 111(38): 9291-9298

18.   Structure to property relationships for multiphoton absorption in covalently linked porphyrin dimers: A correction vector INDO/MRDCI study
Zhu, Lingyun; Yi, Yuanping; Shuai, Zhigang*; Schmidt, Karin; Zojer, Egbert
Journal of Physical Chemistry A, 2007, 111(34): 8509-8518

17.   Toward quantitative prediction of molecular fluorescence quantum efficiency: Role of Duschinsky rotation
Peng, Qian; Yi, Yuanping; Shuai, Zhigang*; Shao, Jiushu
Journal of the American Chemical Society, 2007, 129(30): 9333-9339

16.   Excited state radiationless decay process with Duschinsky rotation effect: Formalism and implementation
Peng, Qian; Yi, Yuanping; Shuai, Zhigang*; Shao, Jiushu
Journal of Chemical Physics, 2007, 126(11): 114302

15.   Helical molecular duplex strands: Multiple hydrogen-bond-mediated assembly of self-complementary oligomeric hydrazide derivatives
Yang, Yong; Yang, Zhi-Yong; Yi, Yuan-Ping; Xiang, Jun-Feng; Chen, Chuan-Feng*; Wan, Li-Jun*; Shuai, Zhi-Gang*
Journal of Organic Chemistry, 2007, 72(13): 4936-4946

14.   扩展苯基衍生物分子器件的电子输运的理论研究
欧阳生德, 易院平, 耿华, 帅志刚*
高等学校化学学报, 2007, 28(5): 952-954

13.   Two-photon absorption in quadrupolar bis(acceptor)-terminated chromophores with electron-rich bis(heterocycle)vinylene bridges
Zheng, Shijun; Leclercq, Amalia; Fu, Jie; Beverina, Luca; Padilha, Lazaro A.; Zojer, Egbert; Schmidt, Karin; Barlow, Stephen; Luo, Jingdong; Jiang, Sei-Hum; Jen, Alex K. -Y.; Yi, Yuanping; Shuai, Zhigang; Van Stryland, Eric W.; Hagan, David J.; Bredas, Jean-Luc; Marder, Seth R.*
Chemistry of Materials, 2007, 19(3): 432-442

12.   Two-photon absorption properties of iron(II) and ruthenium(II) trischelate complexes of 2,2 ': 4,4 '': 4 ',4'''-quaterpyridinium ligands
Coe, Benjamin J.*; Samoc, Marek*; Samoc, Anna; Zhu, Lingyun; Yi, Yuanping; Shuai, Zhigang*
Journal of Physical Chemistry A, 2007, 111(3): 472-478

11.   High two-photon cross-sections in bis(diarylaminostyryl) chromophores with electron-rich heterocycle and bis(heterocycle)vinylene bridges
Zheng, Shijun; Beverina, Luca; Barlow, Stephen; Zojer, Egbert; Fu, Jie; Padilha, Lazaro A.; Fink, Christian; Kwon, Ohyun; Yi, Yuanping; Shuai, Zhigang; Van Stryland, Eric W.; Hagan, David J.; Bredas, Jean-Luc; Marder, Seth R.*
Chemical Communications, 2007, (13): 1372-1374

10.   Theoretical study of inelastic X-ray scattering spectra for organic materials: Molecular excitation coupled with molecular exciton descriptions
Chen, Li Ping; Yi, Yuanping; Li, Qikai; Shuai, Zhigang*; Yang, Ke; Feng, Dong Lai
Synthetic Metals, 2007, 157(16-17): 670-677

9.   Quantum chemical investigations on electron transport characteristics of porphyrin and metal-porphyrin
Ouyang, Sheng-De; Yi, Yuan-Ping; Geng, Hua; Shuai, Zhi-Gang*; Luo, Yi*
Chemical Research in Chinese Universities, 2007, 23(1): 87-91

8.   The correction vector method for three-photon absorption: The effects of pi conjugation in extended rylenebis(dicarboximide)s
Yi, Yuanping; Zhu, Lingyun; Shuai, Zhigang*
Journal of Chemical Physics, 2006, 125(16): 164505

7.   Extended squaraine dyes with large two-photon absorption cross-sections
Chung, Sung-Jae; Zheng, Shijun; Odani, Toru; Beverina, Luca; Fu, Jie; Padilha, Lazaro A.; Biesso, Arianna; Hales, Joel M.; Zhan, Xiaowei; Schmidt, Karin; Ye, Aijun; Zojer, Egbert; Barlow, Stephen; Hagan, David J.; Van Stryland, Eric W.; Yi, Yuanping; Shuai, Zhigang; Pagani, Giorgio A.; Bredas, Jean-Luc; Perry, Joseph W.; Marder, Seth R.*
Journal of the American Chemical Society, 2006, 128(45): 14444-14445

6.   Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores
Zhu, Lingyun; Yi, Yuanping; Shuai, Zhigang*; Bredas, Jean-Luc; Beljonne, David; Zojer, Egbert*
Journal of Chemical Physics, 2006, 125(4): 044101

5.   Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study
Yin, Shiwei; Yi, Yuanping; Li, Qingxu; Yu, Gui; Liu, Yunqi; Shuai, Zhigang*
Journal of Physical Chemistry A, 2006, 110(22): 7138-7143

4.   Coupled-cluster equation of motion study for the electronic and optical properties of conjugated systems
Shuai, Zhigang*; Li, Qingxu; Yi, Yuanping
Journal of Theoretical and Computational Chemistry, 2005, 4(spec01): 603-622

3.   用耦合簇运动方程计算分子的多光子吸收截面
朱凌云, 易院平, 帅志刚*
分子科学学报, 2005, 21(6): 1-14

2.   Three-photon absorption in anthracene-porphyrin-anthracene triads: A quantum-chemical study
Zhu, Lingyun; Yang, Xia; Yi, Yuanping; Xuan, Pengfei; Shuai, Zhigang*; Chen, Dezhan; Zojer, Egbert; Bredas, Jean-Luc; Beljonne, David
Journal of Chemical Physics, 2004, 121(22): 11060-11067

1.   二维高分子链形态的计算机模拟
杨海洋*, 易院平, 朱平平, 何平笙
高分子通报, 2003, (5): 76-80