Linjun Wang
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Computational methods for design of organic materials with high charge mobility
L Wang, G Nan, X Yang, Q Peng, Q Li, Z Shuai
Chemical Society Reviews 39 (2), 423-434, 2010
3642010
Influences of crystal structures and molecular sizes on the charge mobility of organic semiconductors: Oligothiophenes
X Yang, L Wang, C Wang, W Long, Z Shuai
Chemistry of Materials 20 (9), 3205-3211, 2008
3002008
Theoretical Predictions of Size-dependent Carrier Mobility and Polarity in Graphene
MQ Long, L Tang, D Wang, L Wang, Z Shuai
Journal of the American Chemical Society 131 (49), 17728-17729, 2009
2412009
Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene
G Nan, X Yang, L Wang, Z Shuai, Y Zhao
Physical Review B 79 (11), 115203, 2009
2392009
Multiscale study of charge mobility of organic semiconductor with dynamic disorders
L Wang, Q Li, Z Shuai, L Chen, Q Shi
Physical Chemistry Chemical Physics 12 (13), 3309-3314, 2010
1422010
Charge separation in semicrystalline polymeric semiconductors by photoexcitation: is the mechanism intrinsic or extrinsic?
F Paquin, G Latini, M Sakowicz, PL Karsenti, L Wang, D Beljonne, ...
Physical review letters 106 (19), 197401, 2011
1392011
Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals
L Wang, D Beljonne
The Journal of Physical Chemistry Letters 4 (11), 1888-1894, 2013
1292013
Energetics of Electron–Hole Separation at P3HT/PCBM Heterojunctions
G D’Avino, S Mothy, L Muccioli, C Zannoni, L Wang, J Cornil, D Beljonne, ...
The Journal of Physical Chemistry C 117 (25), 12981-12990, 2013
1272013
Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First‐Principles Level
Z Shuai, L Wang, Q Li
Advanced Materials 23 (9), 1145-1153, 2011
1202011
A simple solution to the trivial crossing problem in surface hopping
L Wang, OV Prezhdo
The Journal of Physical Chemistry Letters 5 (4), 713-719, 2014
1192014
Maximizing Singlet Fission by Intermolecular Packing
L Wang, Y Olivier, OV Prezhdo, D Beljonne
The Journal of Physical Chemistry Letters 5 (19), 3345-3353, 2014
1172014
Charge transfer rates in organic semiconductors beyond first-order perturbation: From weak to strong coupling regimes
G Nan, L Wang, X Yang, Z Shuai, Y Zhao
The Journal of chemical physics 130, 024704, 2009
1052009
Roles of inter-and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal
LJ Wang, Q Peng, QK Li, Z Shuai
The Journal of chemical physics 127, 044506, 2007
982007
Optical Properties of Oligothiophene Substituted Diketopyrrolopyrrole Derivatives in the Solid Phase: Joint J-and H-Type Aggregation
M Kirkus, L Wang, S Mothy, D Beljonne, J Cornil, RAJ Janssen, ...
The Journal of Physical Chemistry A 116 (30), 7927-7936, 2012
952012
Toward Quantitative Prediction of Charge Mobility in Organic Semiconductors: Tunneling Enabled Hopping Model
H Geng, Q Peng, L Wang, H Li, Y Liao, Z Ma, Z Shuai
Advanced Materials 24 (26), 3568-3572, 2012
922012
A Densely and Uniformly Packed Organic Semiconductor Based on Annelated β‐Trithiophenes for High‐Performance Thin Film Transistors
L Tan, L Zhang, X Jiang, X Yang, L Wang, Z Wang, L Li, W Hu, Z Shuai, ...
Advanced Functional Materials 19 (2), 272-276, 2009
912009
Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces
L Wang, R Long, OV Prezhdo
Annual review of physical chemistry 66, 549-579, 2015
902015
Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics
L Wang, D Trivedi, OV Prezhdo
Journal of Chemical Theory and Computation 10 (9), 3598-3605, 2014
902014
Theory of charge transport in carbon electronic materials
Z Shuai, L Wang, C Song
Springer Verlag, 2012
842012
Energy Level Alignment and Charge Carrier Mobility in Noncovalently Functionalized Graphene
L Chen, L Wang, Z Shuai, D Beljonne
The Journal of Physical Chemistry Letters 4 (13), 2158-2165, 2013
752013
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