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 | 483 | 2010 |
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 | 343 | 2008 |
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 | 324 | 2009 |
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 | 313 | 2009 |
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 | 181 | 2014 |
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 | 178 | 2010 |
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 | 177 | 2013 |
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 | 172 | 2014 |
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 | 169 | 2011 |
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 | 157 | 2013 |
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 | 150 | 2011 |
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 | 145 | 2015 |
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 | 144 | 2014 |
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 | 139 | 2012 |
Theory of charge transport in carbon electronic materials Z Shuai, L Wang, C Song Springer Verlag, 2012 | 120 | 2012 |
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 | 117 | 2012 |
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 | 117 | 2009 |
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 | 105 | 2007 |
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 | 101 | 2009 |
Mixed quantum-classical dynamics for charge transport in organics L Wang, OV Prezhdo, D Beljonne Physical Chemistry Chemical Physics 17 (19), 12395-12406, 2015 | 100 | 2015 |