| Efficient Degradation of Toxic Organic Pollutants with Ni2O3/TiO2-xBx under Visible Irradiation W Zhao, W Ma, C Chen, J Zhao, Z Shuai Journal of the American Chemical Society 126 (15), 4782-4783, 2004 | 1462 | 2004 |
| Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions M Long, L Tang, D Wang, Y Li, Z Shuai ACS nano 5 (4), 2593-2600, 2011 | 964 | 2011 |
| Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys Y Chen, J Xi, DO Dumcenco, Z Liu, K Suenaga, D Wang, Z Shuai, ... Acs Nano 7 (5), 4610-4616, 2013 | 688 | 2013 |
| White light emission from a single organic molecule with dual phosphorescence at room temperature Z He, W Zhao, JWY Lam, Q Peng, H Ma, G Liang, Z Shuai, BZ Tang Nature communications 8 (1), 416, 2017 | 686 | 2017 |
| Rational molecular design for achieving persistent and efficient pure organic room-temperature phosphorescence W Zhao, Z He, JWY Lam, Q Peng, H Ma, Z Shuai, G Bai, J Hao, BZ Tang Chem 1 (4), 592-602, 2016 | 681 | 2016 |
| First-principles prediction of charge mobility in carbon and organic nanomaterials J Xi, M Long, L Tang, D Wang, Z Shuai Nanoscale 4 (15), 4348-4369, 2012 | 631 | 2012 |
| Structures, electronic states, photoluminescence, and carrier transport properties of 1, 1-disubstituted 2, 3, 4, 5-tetraphenylsiloles G Yu, S Yin, Y Liu, J Chen, X Xu, X Sun, D Ma, X Zhan, Q Peng, Z Shuai, ... Journal of the American Chemical Society 127 (17), 6335-6346, 2005 | 561 | 2005 |
| 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 | 500 | 2010 |
| Toward quantitative prediction of molecular fluorescence quantum efficiency: Role of Duschinsky rotation Q Peng, Y Yi, Z Shuai, J Shao Journal of the American Chemical Society 129 (30), 9333-9339, 2007 | 478 | 2007 |
| Efficient and long-lived room-temperature organic phosphorescence: theoretical descriptors for molecular designs H Ma, Q Peng, Z An, W Huang, Z Shuai Journal of the American Chemical Society 141 (2), 1010-1015, 2018 | 475 | 2018 |
| Role of dimensionality on the two‐photon absorption response of conjugated molecules: the case of octupolar compounds D Beljonne, W Wenseleers, E Zojer, Z Shuai, H Vogel, SJK Pond, ... Advanced Functional Materials 12 (9), 631-641, 2002 | 459 | 2002 |
| Theory of excited state decays and optical spectra: application to polyatomic molecules Y Niu, Q Peng, C Deng, X Gao, Z Shuai The Journal of Physical Chemistry A 114 (30), 7817-7831, 2010 | 430 | 2010 |
| A facile strategy for realizing room temperature phosphorescence and single molecule white light emission J Wang, X Gu, H Ma, Q Peng, X Huang, X Zheng, SHP Sung, G Shan, ... Nature communications 9 (1), 2963, 2018 | 426 | 2018 |
| Spin− orbit coupling and intersystem crossing in conjugated polymers: a configuration interaction description D Beljonne, Z Shuai, G Pourtois, JL Bredas The Journal of Physical Chemistry A 105 (15), 3899-3907, 2001 | 414 | 2001 |
| Carrier mobility in graphyne should be even larger than that in graphene: a theoretical prediction J Chen, J Xi, D Wang, Z Shuai The journal of physical chemistry letters 4 (9), 1443-1448, 2013 | 402 | 2013 |
| Excited-state electronic structure of conjugated oligomers and polymers: a quantum-chemical approach to optical phenomena JL Brédas, J Cornil, D Beljonne, DA Dos Santos, Z Shuai Accounts of chemical research 32 (3), 267-276, 1999 | 399 | 1999 |
| Charge separation in localized and delocalized electronic states in polymeric semiconductors A Köhler, DA Dos Santos, D Beljonne, Z Shuai, JL Brédas, AB Holmes, ... Nature 392 (6679), 903-906, 1998 | 398 | 1998 |
| Structures, electronic states, and electroluminescent properties of a zinc (II) 2-(2-hydroxyphenyl) benzothiazolate complex G Yu, S Yin, Y Liu, Z Shuai, D Zhu Journal of the American Chemical Society 125 (48), 14816-14824, 2003 | 375 | 2003 |
| 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 | 350 | 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 | 342 | 2009 |
Jean-Luc BredasThe University of ArizonaVerified email at email.arizona.edu