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Optoelectronic properties of diathiafulvalene-functionalized diketopyrrolopyrrole–fullerene molecular dyad
期刊论文
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2020, 卷号: 242
作者:
X.-J., Lu
;
C.-R., Zhang
;
J.-J., Gong
;
W., Wang
;
Z.-J., Liu
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Interface states
Light absorption
Molecular orbitals
Organic solar cells
Diketopyrrolopyrroles
Effective electrons
Energy differences
Excitation properties
Interface disorders
Optoelectronic properties
Quantum chemistry calculations
Quasi-degeneration
Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction
期刊论文
International Journal of Quantum Chemistry, 2020, 卷号: 120, 期号: 4
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Yuan, Li-Hua
;
Zhang, Mei-Ling
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  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Charge transfer
Density functional theory
Dissociation
Electronic structure
Excited states
Excitons
Heterojunctions
Morphology
Photovoltaic effects
Rate constants
Charge recombinations
Donor-acceptor complex
Donor-acceptor heterojunctions
Excitation properties
Heterojunction interfaces
Interface configuration
Molecular configurations
Organic heterojunctions
The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 14, 页码: 13
作者:
Guo, Yue
;
Duan, Mojie
;
Yang, Minghui
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  |  
浏览/下载:46/0
  |  
提交时间:2019/10/14
fatty acid binding protein
invisible intermediate states
transition time
binding mechanism
molecular dynamics simulation
Pentaquark and Tetraquark States
期刊论文
PROGRESS IN PARTICLE AND NUCLEAR PHYSICS, 2019, 卷号: 107, 页码: 237-320
作者:
Liu, Yan-Rui
;
Chen, Hua-Xing
;
Chen, Wei
;
Liu, Xiang
;
Zhu, Shi-Lin
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  |  
浏览/下载:59/0
  |  
提交时间:2019/11/10
Pentaquark
Tetraquark
Multiquark states
Molecular states
Pentaquark and Tetraquark States
期刊论文
PROGRESS IN PARTICLE AND NUCLEAR PHYSICS, 2019, 卷号: 107, 页码: 237-320
作者:
Liu, Yan-Rui
;
Chen, Hua-Xing
;
Chen, Wei
;
Liu, Xiang
;
Zhu, Shi-Lin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
Pentaquark
Tetraquark
Multiquark states
Molecular states
Pentaquark and Tetraquark States
期刊论文
PROGRESS IN PARTICLE AND NUCLEAR PHYSICS, 2019, 卷号: 107, 页码: 237-320
作者:
Liu, Yan-Rui
;
Chen, Hua-Xing
;
Chen, Wei
;
Liu, Xiang
;
Zhu, Shi-Lin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/30
Pentaquark
Tetraquark
Multiquark states
Molecular states
The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad
期刊论文
Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
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  |  
浏览/下载:0/0
  |  
提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Geometry
Molecular orbitals
Optoelectronic devices
Porphyrins
Structural properties
Zinc
Highest occupied molecular orbital
Lowest unoccupied molecular orbital
Optoelectronic properties
Partial delocalization
Porphyrin fullerenes
Synergistic enhancement
Time dependent density functional theory
Transient intermediate
Electronic states and molecular orientation of ITIC film
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 8, 页码: 88801
作者:
Lin, DQ
;
Chen, GH
;
Bai, XY
;
Wang, LX
;
Wu, R
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  |  
浏览/下载:28/0
  |  
提交时间:2019/09/24
electronic states
molecular orientation
photovoltaic small molecule
photoelectron spectroscopy
XAS
Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 1, 页码: 768-778
作者:
Nowakowska, S
;
Mazzola, F
;
Alberti, MN
;
Song, F
;
Voigt, T
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  |  
浏览/下载:30/0
  |  
提交时间:2018/09/06
Initio Molecular-dynamics
Total-energy Calculations
Augmented-wave Method
Surface-states
Temperature-dependence
Nanoporous Network
Electronic States
Chiral Networks
Hydrogen-bonds
Metal-surfaces
Interfacial charge transfer in semiconductor-molecular photocatalyst systems for proton reduction
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS, 2017, 卷号: 33, 页码: 165-179
作者:
Wang, Xiuli
;
Li, Can
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  |  
浏览/下载:134/0
  |  
提交时间:2019/06/20
Semiconductor
Quantum Dots
Molecular Catalyst
Interfacial Charge Transfer
Charge Carrier Dynamics
Surface States
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