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长春应用化学研究所 [9]
化学研究所 [7]
大连化学物理研究所 [5]
厦门大学 [3]
兰州理工大学 [3]
武汉物理与数学研究所 [3]
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期刊论文 [39]
学位论文 [1]
发表日期
2014 [40]
学科主题
Chemistry [2]
物理化学 [1]
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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
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浏览/下载:0/0
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提交时间:2020/11/14
Charge transfer
Heterojunctions
Interface states
Molecules
Photovoltaic effects
Charge separation mechanism
Density functional theory studies
Electron delocalization
Electronic delocalization
Intermolecular interactions
Organic photovoltaic devices
Photocurrent generations
Time dependent density functional theory
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:10/0
  |  
提交时间:2019/11/15
Sensing Mechanism for Biothiols Chemosensor DCO: Roles of Excited-State Hydrogen-Bonding and Intramolecular Charge Transfer
期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 39, 页码: 8986-8995
作者:
Chen, Jun-Sheng
;
Yuan, Ming-Hu
;
Wang, Jia-Pei
;
Yang, Yang
;
Chu, Tian-Shu
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浏览/下载:18/0
  |  
提交时间:2015/11/17
Ultrafast relaxation dynamics of phosphine-protected, rod-shaped Au-20 clusters: interplay between solvation and surface trapping
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 34, 页码: 18288-18293
作者:
Zhou, Meng
;
Long, Saran
;
Wan, Xiankai
;
Li, Yang
;
Niu, Yingli
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  |  
浏览/下载:10/0
  |  
提交时间:2019/04/09
Ultrafast relaxation dynamics of phosphine-protected, rod-shaped Au-20 clusters: interplay between solvation and surface trapping
期刊论文
physical chemistry chemical physics, 2014, 卷号: 16, 期号: 34, 页码: 18288-18293
作者:
Zhou, Meng
;
Long, Saran
;
Wan, Xiankai
;
Li, Yang
;
Niu, Yingli
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/17
DFT and TD-DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells
期刊论文
http://dx.doi.org/10.1007/s00214-014-1531-4, 2014
Sun, Mingjun
;
Cao, Zexing
;
曹泽星
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浏览/下载:121/0
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提交时间:2015/07/22
NANOCRYSTALLINE TIO2
CHARGE-TRANSFER
ELECTRON INJECTION
TRANSITION-METAL
EXCITED-STATES
EFFICIENCY
FILMS
SENSITIZERS
DENSITY
COMPLEXES
Charge-Transfer Complex Crystal Based on Extended--Conjugated Acceptor and Sulfur-Bridged Annulene: Charge-Transfer Interaction and Remarkable High Ambipolar Transport Characteristics
期刊论文
ADVANCED MATERIALS, 2014, 卷号: 26, 期号: 24, 页码: 4093-4099
作者:
Qin, Yunke
;
Zhang, Jing
;
Zheng, Xiaoyan
;
Geng, Hua
;
Zhao, Guangyao
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浏览/下载:13/0
  |  
提交时间:2019/04/09
Field-effect Transistor
Ambipolar Transport
Co-crystals
Charge-transfer Complexes
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
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提交时间:2019/11/15
Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution
期刊论文
spectrochimica acta part a-molecular and biomolecular spectroscopy, 2014, 卷号: 125, 页码: 67-72
作者:
Chai, Shuo
;
Cong, Shu-Lin
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  |  
浏览/下载:16/0
  |  
提交时间:2015/11/17
Twisted intramolecular charge transfer
Intermolecular hydrogen bond
Excited state dynamics
Time-dependent density functional theory
Excited state intramolecular proton transfer and substituent effect of 10-hydroxybenzo[h]quinoline: A time-dependent density functional theory study
期刊论文
computational and theoretical chemistry, 2014, 卷号: 1034, 页码: 80-84
作者:
Chai, Shuo
;
Cong, Shu-Lin
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/17
Excited state intramolecular proton transfer
Hydrogen bond
Substituent effect
Time-dependent density functional theory
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