S504 Meng Min Wei SciTech Bld.

     Department of Chemistry

     Tsinghua University

     Beijing 100084 P.R. China

 

     Tel: +65-64191165
     Email: This email address is being protected from spambots. You need JavaScript enabled to view it.                                                                                    

                                                                            

 

                                   

Research Interests

  • Multiscale simulations of organic thermoelectric materials
  • Understanding the charge transport process in organic semiconductors
  • Thermal transport in organic materials

 


CV

 
2008.09-2012.07
Study for a degree of B.Sc.in Chemistry from China Agriculture University (Beijing)
 
2012.08-2017.07
PhD student of Tsinghua University (Beijing)
 
 2017.09-
 Research Fellow at Institute of High Performance Computing (Singapore)
     
 

 

     

Recent Selected papers

1. Wen Shi, Tianqi Zhao, Jinyang Xi, Dong Wang*, Zhigang Shuai*, Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties. J. Am. Chem. Soc., 2015, 137, 12929-12938.

2. Wen Shi, Jianming Chen, Jinyang Xi, Dong Wang*, Zhigang Shuai*, Search for Organic Thermoelectric Materials with High Mobility: The Case of 2,7-Dialkyl[1]benzothieno[3,2-b][1]benzothiophene Derivatives. Chem. Mater., 2014, 26, 2669-2677.

3. Wen Shi, Zhigang Shuai, Dong Wang*, Tuning thermal transport in chain-oriented conducting polymers for enhanced thermoelectric efficiency: a computational study. Adv. Funct. Mater.. DOI: 0.1002/adfm.201702847         

4. Jun Wang, Wen Shi, Di Liu, Zijian Zhang, Yongfa Zhu*, Dong Wang*, Supramolecular organic nanofibers with highly efficient and stable visible light photooxidation performance. Appl. Catal. B Environ., 2017, 202, 289-297.

5. Huili Ma, Wen Shi, Jiajun Ren, Wenqiang Li, Qian Peng* and Zhigang Shuai*, Electrostatic Interaction-Induced Room-Temperature Phosphorescence in Pure Organic Molecules from QM/MM Calculations. J. Phys. Chem. Lett., 2016, 7, 2893-2898.

6. Jianfeng Chen, Wen Shi, Yuqian Jiang, Dong Wang*, Zhigang Shuai*, Strain Induced Polymorphism and Band Structure Modulation in Low-Temperature 2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene Single Crystal. Sci. China Chem., 2016, 59, 1-2.

7. Tianqi Zhao, Wen Shi, Jinyang Xi, Dong Wang*, Zhigang Shuai*, Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles. Sci. Rep., 2016, 7, 19968.

8. Dong Wang, Wen Shi, Jianming Chen, Jinyang Xi, Zhigang Shuai*, Modeling thermoelectric transport in organic materials Phys. Chem. Chem. Phys., 2012, 14, 16505-16520.

9. Yuqian Jiang, Xinxin Zhong, Wen Shi, Qian Peng, Hua Geng, Yi Zhao*, Zhigang Shuai*, Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors. Nanoscale Horiz., 2016, 1, 53-59.

10. Yuqian Jiang, Hua Geng, Wen Shi, Qian Peng, Xiaoyan Zheng, Zhigang Shuai*, Theoretical prediction of isotope effects on charge transport in organic semiconductors, J. Phys. Chem. Lett., 2014, 5, 2267-2273.

11. Yuma Nakamura, Tianqi Zhao, Jinyang Xi, Wen Shi, Dong Wang*, Zhigang Shuai*, Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings. arXiv: 1705.01816.

12. 石文,王冬*,帅志刚*,有机材料热电性质的第一性原理计算,科研信息化技术与应用,2012,3,28-36.

 

 

 

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