Wen Shi (石文)
Wen Shi (石文)
Institute of High Performance Computing, A*STAR
E-mail confirmado em ihpc.a-star.edu.sg - Página inicial
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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, 19968, 2016
1112016
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
1072015
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
692017
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
652016
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
652014
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
652012
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
412016
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
352017
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
282017
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
272014
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
212018
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
142019
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
142019
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
142018
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
142018
High‐Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design
W Shi, D Wang, Z Shuai
Advanced Electronic Materials 5 (11), 1800882, 2019
112019
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
72019
Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation
Y Liu, W Shi, T Zhao, D Wang, Z Shuai
The Journal of Physical Chemistry Letters, 2019
52019
Beyond the Mahan–Sofo best thermoelectric strategy: high thermoelectric performance from directional π-conjugation in two-dimensional poly (tetrathienoanthracene)
T Deng, X Yong, W Shi, ZM Wong, G Wu, H Pan, JS Wang, SW Yang
Journal of Materials Chemistry A 8 (8), 4257-4262, 2020
22020
Observation of Energy-Dependent Carrier Scattering in Conducting Polymer Nanowires Blends for Enhanced Thermoelectric Performance
X Chen, W Shi, K Zhang
ACS Applied Materials & Interfaces, 2020
12020
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