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Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 1, 页码: 44-49
作者:  Tu, Zeyi;  Yi, Yuanping;  Coropceanu, Veaceslav;  Bredas, Jean-Luc
收藏  |  浏览/下载:21/0  |  提交时间:2019/04/09
Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 13
作者:  Gali, Sai Manoj;  D'Avino, Gabriele;  Aurel, Philippe;  Han, Guangchao;  Yi, Yuanping
收藏  |  浏览/下载:10/0  |  提交时间:2018/07/02
Impact of electron delocalization on the nature of the charge-transfer states in model pentacene/C60 Interfaces: A density functional theory study 期刊论文
Journal of Physical Chemistry C, 2014, 卷号: 118, 期号: 48, 页码: 27648-27656
作者:  Yang, Bing;  Yi, Yuanping;  Zhang, Cai-Rong;  Aziz, Saadullah G.;  Coropceanu, Veaceslav
收藏  |  浏览/下载:0/0  |  提交时间:2020/11/14
Impact of Electron De localization on the Nature of the Charge-Transfer States in Model Pentacene/C-60 Interfaces: A Density Functional Theory Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 48, 页码: 27648-27656
作者:  Yang, Bing;  Yi, Yuanping;  Zhang, Cai-Rong;  Aziz, Saadullah G.;  Coropceanu, Veaceslav
收藏  |  浏览/下载:8/0  |  提交时间:2019/11/15
Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 26, 页码: 14150-14156
作者:  Zhu, Lingyun;  Yi, Yuanping;  Fonari, Alexandr;  Corbin, Nathan S.;  Coropceanu, Veaceslav
收藏  |  浏览/下载:16/0  |  提交时间:2019/04/09
Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C-60 Using Tuned Range-Separated Hybrid Functionals 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 卷号: 10, 期号: 6, 页码: 2379-2388
作者:  Zhang, Cai-Rong;  Sears, John S.;  Yang, Bing;  Aziz, Saadullah G.;  Coropceanu, Veaceslav
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/15
Vibronic coupling in the ground state of oligoacene cations: The performance of range-separated hybrid density functionals 期刊论文
Journal of Physical Chemistry C, 2014, 卷号: 118, 期号: 1, 页码: 154-158
作者:  Zhang, Cai-Rong;  Coropceanu, Veaceslav;  Sears, John S.;  Brédas, Jean-Luc
收藏  |  浏览/下载:4/0  |  提交时间:2020/11/14
Vibronic Coupling in the Ground State of Oligoacene Cations: The Performance of Range-Separated Hybrid Density Functionals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 1, 页码: 154-158
作者:  Zhang, Cai-Rong;  Coropceanu, Veaceslav;  Sears, John S.;  Bredas, Jean-Luc
收藏  |  浏览/下载:6/0  |  提交时间:2019/11/15
Triisopropylsilylethynyl-Functionalized Graphene-Like Fragment Semiconductors: Synthesis, Crystal Packing, and Density Functional Theory Calculations 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2013, 卷号: 19, 期号: 52, 页码: 17907-17916
作者:  Zhang, Lei;  Fonari, Alexandr;  Zhang, Yue;  Zhao, Guangyao;  Coropceanu, Veaceslav
收藏  |  浏览/下载:19/0  |  提交时间:2019/04/09
Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 135, 期号: 10
作者:  Geng, Hua;  Niu, Yingli;  Peng, Qian;  Shuai, Zhigang;  Coropceanu, Veaceslav
收藏  |  浏览/下载:13/0  |  提交时间:2019/04/09


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