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1

Theoretical study on charge transport properties of cyanovinyl-substituted oligothiophenes

Yu-Ai Duan, Yun Geng, Hai-Bin Li, Xiao-Dan Tang, Jun-Ling Jin, Zhong-Min Su

Журнал:

Organic Electronics

Рік:

2012

Мова:

english

Файл:

PDF, 972 KB

english, 2012

2

Theoretical Insight into the Origin of Large Stokes Shift and Photophysical Properties of Anilido-Pyridine Boron Difluoride Dyes

Jun-Ling Jin, Hai-Bin Li, Dr. Yun Geng, Yong Wu, Yu-Ai Duan, Prof. Dr. Zhong-Min Su

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 1.17 MB

english, 2012

3

Theoretical characterization and design of small molecule donor material containing naphthodithiophene central unit for efficient organic solar cells

Duan, Yu-Ai, Geng, Yun, Li, Hai-Bin, Jin, Jun-Ling, Wu, Yong, Su, Zhong-Min

Журнал:

Journal of Computational Chemistry

Рік:

2013

Мова:

english

Файл:

PDF, 895 KB

english, 2013

4

The influence of molecular solid packings on the photoluminescence and carrier transport properties for two bow-shaped thiophene compounds: a theoretical study

Shuang-Yang Yang, Liang Zhao, Yu-Ai Duan, Yun Geng…

Журнал:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Рік:

2013

Мова:

english

Файл:

PDF, 452 KB

english, 2013

5

An efficient strategy for improving carrier transport performance – Introducing fluorine into aryl substituted tetracene

Zhang, Bing, Kan, Yu-He, Geng, Yun, Duan, Yu-Ai, Li, Hai-Bin, Hua, Jian, Su, Zhong-Min

Журнал:

Organic Electronics

Рік:

2013

Мова:

english

Файл:

PDF, 803 KB

english, 2013

6

Density functional studies on photophysical properties and chemical reactivities of the triarylboranes: effect of the constraint of planarity

Jun-Ling Jin, Hai-Bin Li, Tian Lu, Yu-Ai Duan, Yun Geng…

Журнал:

Journal of Molecular Modeling

Рік:

2013

Мова:

english

Файл:

PDF, 604 KB

english, 2013

7

Theoretical studies on the hole transport property of tetrathienoarene derivatives: The influence of the position of sulfur atom, substituent and π-conjugated core

Duan, Yu-Ai, Li, Hai-Bin, Geng, Yun, Wu, Yong, Wang, Guang-Yu, Su, Zhong-Min

Журнал:

Organic Electronics

Рік:

2014

Мова:

english

Файл:

PDF, 1.62 MB

english, 2014

8

Theoretical study and design of triphenylamine-malononitrile-based p-type organic dyes with different π-linkers for dyes-sensitized solar cells

Li, Hai-Bin, Zhang, Ji, Wu, Yong, Jin, Jun-Ling, Duan, Yu-Ai, Su, Zhong-Min, Geng, Yun

Журнал:

Dyes and Pigments

Рік:

2014

Мова:

english

Файл:

PDF, 1.39 MB

english, 2014

9

Theoretical investigation of novel phenothiazine-based D–π–A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells

Fu, Jing-Jing, Duan, Yu-Ai, Zhang, Jian-Zhao, Guo, Mei-Song, Liao, Yi

Журнал:

Computational and Theoretical Chemistry

Рік:

2014

Мова:

english

Файл:

PDF, 2.11 MB

english, 2014

10

Stepwise modulation of the electron-donating strength of ancillary ligands: understanding the AIE mechanism of cationic iridium( iii ) complexes

Wu, Yong, Sun, Hai-Zhu, Cao, Hong-Tao, Li, Hai-Bin, Shan, Guo-Gang, Duan, Yu-Ai, Geng, Yun, Su, Zhong-Min, Liao, Yi

Журнал:

Chemical Communications

Рік:

2014

Мова:

english

Файл:

PDF, 1.69 MB

english, 2014

11

A designed bithiopheneimide-based conjugated polymer for organic photovoltaic with ultrafast charge transfer at donor/PC71BM interface: theoretical study and characterization

Li, Shuang-Bao, Duan, Yu-Ai, Geng, Yun, Li, Hai-Bin, Zhang, Jian-Zhao, Xu, Hong-Liang, Zhang, Min, Su, Zhong-Min

Журнал:

Physical Chemistry Chemical Physics

Рік:

2014

Мова:

english

Файл:

PDF, 2.05 MB

english, 2014

12

Theoretical design and characterization of pyridalthiadiazole-based chromophores with fast charge transfer at donor/acceptor interface toward small molecule organic photovoltaics

Li, Shuang-Bao, Duan, Yu-Ai, Geng, Yun, Gao, Hong-Ze, Qiu, Yong-Qing, Su, Zhong-Min

Журнал:

Рік:

2015

Мова:

english

Файл:

PDF, 2.08 MB

english, 2015

13

Theoretical evaluation on the reorganization energy of five-ring-fused benzothiophene derivatives

Zhu, Rui, Duan, Yu-Ai, Geng, Yun, Wei, Cong-Yuan, Chen, Xiang-Yang, Liao, Yi

Журнал:

Computational and Theoretical Chemistry

Рік:

2016

Мова:

english

Файл:

PDF, 1.93 MB

english, 2016

14

Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics?

Li, Shuang-Bao, Geng, Yun, Duan, Yu-Ai, Sun, Guang-Yan, Zhang, Min, Qiu, Yong-Qing, Su, Zhong-Min

Журнал:

The Journal of Chemical Physics

Рік:

2016

Мова:

english

Файл:

PDF, 7.59 MB

english, 2016

15

A theoretical exploration of the effect of fluorine and cyano substitutions in diketopyrrolopyrrole-based polymer donor for organic solar cells

Zhao, Zhi-Wen, Pan, Qing-Qing, Li, Shuang-Bao, Duan, Yu-Ai, Geng, Yun, Zhang, Min, Su, Zhong-Min

Журнал:

Journal of Molecular Graphics and Modelling

Рік:

2017

Мова:

english

Файл:

PDF, 1.47 MB

english, 2017

16

Effect of electron-withdrawing terminal group on BDT-based donor materials for organic solar cells: a theoretical investigation

Fu, Lu-Lu, Geng, Hua, Wang, Guo, Duan, Yu-Ai, Geng, Yun, Peng, Qian, Zhu, Rui, Xiao, Tian-tian, Wang, Wen, Liao, Yi

Журнал:

Theoretica Chimica Acta

Рік:

2018

Мова:

english

Файл:

PDF, 2.06 MB

english, 2018

17

Ruthenium [NNN] and [NCN]-type pincer complexes with phosphine coligands: synthesis, structures and catalytic applications

Zhang, Bo, Wang, Haiying, Yan, Xuechao, Duan, Yu-Ai, Guo, Shuai, Luo, Fei-Xian

Журнал:

Transition Metal Chemistry

Рік:

2019

Мова:

english

Файл:

PDF, 1.17 MB

english, 2019