Supramolecular organic nanofibers with highly efficient and stable visible light photooxidation performance J Wang, W Shi, D Liu, ZJ Zhang, Y Zhu, D Wang Applied Catalysis B: Environmental 202, 289-297, 2017 | 213 | 2017 |
Unravelling doping effects on PEDOT at the molecular level: from geometry to thermoelectric transport properties W Shi, T Zhao, J Xi, D Wang, Z Shuai Journal of the American Chemical Society 137 (40), 12929-12938, 2015 | 202 | 2015 |
Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles T Zhao, W Shi, J Xi, D Wang, Z Shuai Scientific reports 6 (1), 19968, 2016 | 146 | 2016 |
Electrostatic interaction-induced room-temperature phosphorescence in pure organic molecules from QM/MM calculations H Ma, W Shi, J Ren, W Li, Q Peng, Z Shuai The Journal of Physical Chemistry Letters 7 (15), 2893-2898, 2016 | 131 | 2016 |
Search for organic thermoelectric materials with high mobility: The case of 2, 7-dialkyl [1] benzothieno [3, 2-b][1] benzothiophene derivatives W Shi, J Chen, J Xi, D Wang, Z Shuai Chemistry of Materials 26 (8), 2669-2677, 2014 | 108 | 2014 |
Modeling thermoelectric transport in organic materials D Wang, W Shi, J Chen, J Xi, Z Shuai Physical Chemistry Chemical Physics 14 (48), 16505-16520, 2012 | 108 | 2012 |
Tuning thermal transport in chain‐oriented conducting polymers for enhanced thermoelectric efficiency: a computational study W Shi, Z Shuai, D Wang Advanced Functional Materials 27 (40), 1702847, 2017 | 76 | 2017 |
Intrinsic charge transport in stanene: Roles of bucklings and electron–phonon couplings Y Nakamura, T Zhao, J Xi, W Shi, D Wang, Z Shuai Advanced Electronic Materials 3 (11), 1700143, 2017 | 59 | 2017 |
Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors Y Jiang, X Zhong, W Shi, Q Peng, H Geng, Y Zhao, Z Shuai Nanoscale Horizons 1 (1), 53-59, 2016 | 58 | 2016 |
Correlating charge and thermoelectric transport to paracrystallinity in conducting polymers A Abutaha, P Kumar, E Yildirim, W Shi, SW Yang, G Wu, K Hippalgaonkar Nature Communicatios 11, 1737, 2020 | 52 | 2020 |
High‐Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design W Shi, D Wang, Z Shuai Advanced Electronic Materials 5 (11), 1800882, 2019 | 51 | 2019 |
Poly (nickel-ethylenetetrathiolate) and its analogs: theoretical prediction of high-performance doping-free thermoelectric polymers W Shi, G Wu, K Hippalgaonkar, JS Wang, J Xu, SW Yang Journal of the American Chemical Society 140 (41), 13200-13204, 2018 | 44 | 2018 |
Pressure-induced emission enhancement in hexaphenylsilole: a computational study T Zhang, W Shi, D Wang, S Zhuo, Q Peng, Z Shuai Journal of Materials Chemistry C 7 (5), 1388-1398, 2019 | 41 | 2019 |
Orbital-Engineering-Based Screening of π-Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n-Type Thermoelectric Applications W Shi, G Wu, X Yong, T Deng, JS Wang, JC Zheng, J Xu, MB Sullivan, ... ACS applied materials & interfaces 10 (41), 35306-35315, 2018 | 38 | 2018 |
Theoretical prediction of isotope effects on charge transport in organic semiconductors Y Jiang, H Geng, W Shi, Q Peng, X Zheng, Z Shuai The Journal of Physical Chemistry Letters 5 (13), 2267-2273, 2014 | 36 | 2014 |
Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small‐Molecule Organic Semiconductors W Shi, T Deng, G Wu, K Hippalgaonkar, JS Wang, SW Yang Advanced Materials 31 (36), 1901956, 2019 | 34 | 2019 |
Tuning thermoelectric performance of π-d conjugated nickel coordination polymers through metal− ligand frontier molecular orbital alignment X Yong, W Shi, G Wu, SS Goh, S Bai, J Xu, JS Wang, SW Yang Journal of Materials Chemistry A, 2018 | 29 | 2018 |
Theoretical search for high-performance thermoelectric donor–acceptor copolymers: the role of super-exchange couplings X Yong, G Wu, W Shi, ZM Wong, T Deng, Q Zhu, X Yang, JS Wang, J Xu, ... Journal of Materials Chemistry A 8 (41), 21852-21861, 2020 | 28 | 2020 |
2D Single-Layer π-Conjugated Nickel Bis(dithiolene) Complex: A Good-Electron-Poor-Phonon Thermoelectric Material T Deng, X Yong, W Shi, CK Gan, W Li, K Hippalgaonkar, JC Zheng, ... Advanced Electronic Materials 5 (4), 1800892, 2019 | 27 | 2019 |
Comparison of different scoring systems for prediction of mortality and ICU admission in elderly CAP population C Lv, Y Chen, W Shi, T Pan, J Deng, J Xu Clinical Interventions in Aging, 1917-1929, 2021 | 22 | 2021 |