引用次数
引用: 36,111
H-指数: 105
I10-指数 : 362
出版物: 544
From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation
Zhigang Shuai , Hua Geng , Wei Xu , Yi Liao
Chemical Society Reviews 43 ( 8) 2662 -2679
201
2014
First-principles electronic structure of light-emitting and transport materials: Zinc(II)2-(2-hydroxyphenyl)benzothiazolate
Yanting Yang , Hua Geng , Zhigang Shuai , Junbiao Peng
Synthetic Metals 156 ( 21) 1287 -1291
6
2006
Theoretical study of inelastic X-ray scattering spectra for organic materials: Molecular excitation coupled with molecular exciton descriptions
Li Ping Chen , Yuanping Yi , Qikai Li , Zhigang Shuai
Synthetic Metals 157 ( 16) 670 -677
2007
Local configuration interaction single excitation approach: Application to singlet and triplet excited states structure for conjugated chains
Qingxu Li , Qikai Li , Zhigang Shuai
Synthetic Metals 158 ( 8) 330 -335
16
2008
Fullerene/Sulfur-Bridged Annulene Cocrystals: Two-Dimensional Segregated Heterojunctions with Ambipolar Transport Properties and Photoresponsivity
Jing Zhang , Jiahui Tan , Zhiying Ma , Wei Xu
Journal of the American Chemical Society 135 ( 2) 558 -561
150
2013
Device simulation of low-band gap polymer solar cells: Influence of electron-hole pair dissociation and decay rates on open-circuit voltage
Yuan Shang , Qikai Li , Lingyi Meng , Dong Wang
Applied Physics Letters 97 ( 14) 143511
15
2010
Improving the efficiency of solution processable organic photovoltaic devices by a star-shaped molecular geometry
Chang He , Qingguo He , Yuanping Yi , Guanglong Wu
Journal of Materials Chemistry 18 ( 34) 4085 -4090
151
2008
First-Principles Predictions of Thermoelectric Figure of Merit for Organic Materials: Deformation Potential Approximation
Jianming Chen , Dong Wang , Zhigang Shuai
Journal of Chemical Theory and Computation 8 ( 9) 3338 -3347
72
2012
Correlation Function Formalism for Triplet Excited State Decay: Combined Spin-Orbit and Nonadiabatic Couplings.
Qian Peng , Yingli Niu , Qinghua Shi , Xing Gao
Journal of Chemical Theory and Computation 9 ( 2) 1132 -1143
81
2013
Modeling thermoelectric transport in organic materials.
Dong Wang , Wen Shi , Jianming Chen , Jinyang Xi
Physical Chemistry Chemical Physics 14 ( 48) 16505 -16520
94
2012
Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation
Guangjun Nan , Qiang Shi , Zhigang Shuai , Zesheng Li
Physical Chemistry Chemical Physics 13 ( 20) 9736 -9746
20
2011
Thin film field-effect transistors of 2,6-diphenyl anthracene (DPA)
Jie Liu , Huanli Dong , Zongrui Wang , Deyang Ji
Chemical Communications 51 ( 59) 11777 -11779
104
2015
Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence
Hao Chen , Yihua Deng , Xiangyu Zhu , Lu Wang
Chemistry of Materials 32 ( 9) 4038 -4044
42
2020
Naphtho[1,2-b:5,6-b′]dithiophene-Based Small Molecules for Thick-Film Organic Solar Cells with High Fill Factors
Xiangwei Zhu , Benzheng Xia , Kun Lu , Huan Li
Chemistry of Materials 28 ( 3) 950
52
2016
Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes
Zikai He , Liuqing Zhang , Ju Mei , Tian Zhang
Chemistry of Materials 27 ( 19) 6601 -6607
155
2015
Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles.
Tianqi Zhao , Wen Shi , Jinyang Xi , Dong Wang
Scientific Reports 7 ( 1) 19968 -19968
128
2016
Theoretical Investigations on the Roles of Intramolecular Structure Distortion versus Irregular Intermolecular Packing in Optical Spectra of 6T Nanoparticles
Wenqiang Li , Qian Peng , Huili Ma , Jin Wen
Chemistry of Materials 29 ( 6) 2513 -2520
10
2017
Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core.
Baoxiu Mi , Yongqiang Dong , Zhen Li , Jacky W. Y. Lam
Chemical Communications ( 28) 3583 -3585
57
2005
Low-Dimensional Aggregates from Stilbazolium-Like Dyes
Zhiyuan Tian , Yu Chen , Wensheng Yang , Jiannian Yao
Angewandte Chemie International Edition 43 ( 31) 4060 -4063
72
2004
Dynamic Monte Carlo Simulation for Highly Efficient Polymer Blend Photovoltaics
Lingyi Meng , Yuan Shang , Qikai Li , Yongfang Li
Journal of Physical Chemistry B 114 ( 1) 36 -41
124
2010