基本情况

姓名：石文

性别：男

出生年月：1989.10

出生地：新疆乌鲁木齐市

职位：副教授

邮箱：[email protected]

通讯地址：广东省广州市中山大学东校园化学材料综合楼A318

邮编：510006

 

教育经历

2012年8月‒2017年7月，清华大学，化学系，化学专业博士学位（导师：帅志刚教授，王冬教授）

2008年9月‒2012年7月，中国农业大学，化学系，化学理科基地班，化学专业学士学位

 

工作经历

2021年3月—现在，线上赌博app-赌博软件下载 ，副教授

2017年9月—2021年2月，新加坡科技研究局（Agency for Science, Technology and Research，A*STAR），高性能计算研究所（Institute of High Performance Computing，IHPC），材料科学与化学系，研究员（合作导师：Shuo-Wang Yang教授）

 

讲授课程

本科生：《结构化学》、《化学中的数学方法》（化学类强基、拔尖计划）、《现代化学实验与技术（物理化学实验）II》

研究生：《现代化学研究技术与技能训练》、《材料与化工现代研究方法》

 

科研方向

理论与计算化学，材料计算与模拟

 

主要研究内容

1.电、热、磁、光等功能材料的理论计算和模拟

2.面向电子和能源材料的理论计算方法、程序和软件的开发

3.高通量计算、数据挖掘和机器学习在电子和能源材料领域的应用

4.理论与计算化学在催化科学中的应用

欢迎有志于从事理论和计算化学，材料计算和模拟的优秀学子报考；欢迎具有研究热情的本科生加入开展科学探索工作；课题组长期招聘博士后。

 

科研项目

国家自然科学基金青年科学基金项目，2022-2024，项目负责人

广东省基础与应用基础研究基金自然科学基金面上项目，2022-2024，项目负责人

广州市科技计划项目基础与应用基础研究项目，2022.04-2024.03，项目负责人

中山大学“百人计划”科研启动基金，2021-2024，项目负责人

中山大学高校基本科研业务费青年教师团队项目，2022，课题负责人

 

获奖情况

2022年9月，中山大学第十届教师教学竞赛决赛理科组优胜奖

2022年5月，线上赌博app-赌博软件下载 第十届教师授课比赛二等奖

2019年5月，2018年度新加坡高性能计算研究所最佳文章奖

2017年7月，清华大学优秀博士学位论文二等奖

2016年10月，博士研究生国家奖学金

2015年10月，清华大学综合优秀奖学金

2015年6月，第十五届国际量子化学大会最佳墙报奖

2014年10月，清华之友—陶氏化学一等奖学金

 

学术期刊审稿人

Adv. Funct. Mater.; Small; J. Mater. Chem. A; Adv. Electron. Mater.; J. Phys. Chem.; Phys. Chem. Chem. Phys.等

 

学术专著

《有机光电材料理论与计算》“第8章有机热电材料的理论研究进展”，王冬，石文，帅志刚，北京，科学出版社，2020。

 

学术论文

  1. Tingxia Zhou, Xiaomei Wu, Tianqi Deng, Haoyuan Li, Zhibin Gao, Wen Shi*, “Atomistic Design of Two-Dimensional Covalent Organic Frameworks with High Thermoelectric Performance” J. Mater. Chem. A 2023, 10.1039/D3TA02146G.
  2. Wen Shi*, Mingjia Yao, Xiaomei Wu, Tingxia Zhou, Xue Yong, Tianqi Deng, Huili Ma, Jinyang Xi*, “Atomistic Insights into the Origin of High-Performance Thermoelectric Response in Hybrid Perovskites” Adv. Sci. 2023, 10.1002/advs.202300666.
  3. Feiyu Qin, Lei Hu*, Yingcai Zhu, Yushan Li, Haitao Wang, Haijun Wu, Jun Peng, Wen Shi*, Umut Aydemir*, Xiangdong Ding, “Enhanced Thermoelectric Performance and Low Thermal Conductivity in Cu2GeTe3 with Identified Localized Symmetry Breakdown” Inorg. Chem. 2023, 62, 7273.
  4. Wen Shi, Tianqi Deng, Zicong Marvin Wong, Gang Wu*, Shuo-Wang Yang*, “A Molecular Roadmap Towards Organic Donor-Acceptor Complexes with High-Performance Thermoelectric Response.” npj Comput. Mater. 2021, 7, 107.
  5. Wen Shi, Zicong Marvin Wong, Tianqi Deng, Gang Wu*, Shuo-Wang Yang*, “Unravelling the Molecular Origin of Organic Semiconductors with High-Performance Thermoelectric Response.” Adv. Funct. Mater. 2021, 31, 2007438.
  6. Wen Shi, Erol Yildirim, Gang Wu, Zicong Marvin Wong, Tianqi Deng, Jian-Sheng Wang, Jianwei Xu, Shuo-Wang Yang*, “The Role of Electrostatic Interaction between Free Charge Carriers and Counterions in Thermoelectric Power Factor of Conducting Polymers: from Crystalline to Polycrystalline Domains.” Adv. Theory Simul. 2020, 3, 2000015.
  7. Wen Shi, Tianqi Deng, Gang Wu, Kedar Hippalgaonkar*, Jian-Sheng Wang, Shuo-Wang Yang*, “Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors.” Adv. Mater. 2019, 31, 1901956.
  8. Wen Shi, Dong Wang*, Zhigang Shuai*, “High-Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design.” Adv. Electron. Mater. 2019, 5, 1800882.
  9. Wen Shi, Gang Wu, Kedar Hippalgaonkar, Jian-Sheng Wang, Jianwei Xu, Shuo-Wang Yang*, “Poly(nickel-ethylenetetrathiolate) and Its Analogs: Theoretical Prediction of High-Performance Doping-Free Thermoelectric Polymers.” J. Am. Chem. Soc. 2018, 140, 13200.
  10. Wen Shi, Gang Wu, Xue Yong, Tianqi Deng, Jian-Sheng Wang, Jin-Cheng Zheng, Jianwei Xu, Michael B. Sullivan, Shuo-Wang Yang*, “Orbital-Engineering-Based Screening of π‑Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n‑Type Thermoelectric Applications.” ACS Appl. Mater. Interfaces 2018, 10, 35306.
  11. Xue Yong#, Wen Shi#, Gang Wu, Shermin S. Goh, Shiqiang Bai, Jianwei Xu, Jian-Sheng Wang, Shuo-Wang Yang*, “Tuning the Thermoelectric Performance of p-d Conjugated Nickel Coordination Polymers Through Metal-Ligand Frontier Molecular Orbital Alignment.” J. Mater. Chem. A 2018, 6, 19757.
  12. Wen Shi, Zhigang Shuai, Dong Wang*, “Tuning Thermal Transport in Chain-Oriented Conducting Polymers for Enhanced Thermoelectric Efficiency: A Computational Study.” Adv. Funct. Mater. 2017, 27, 1702847.
  13. 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.
  14. 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.

  15. 其他

  16. Dong Wang*, Hongde Yu#, Wen Shi#, Chunlin Xu, “Chemical Doping of Organic Semiconducting Materials for Thermoelectric and Spintronic Applications: A First-Principles Understanding” Acc. Chem. Res. 2023, ar-2023-00091d.
  17. Meng-Di Zhang, Jia-Run Huang, Wen Shi, Pei-Qin Liao*, Xiao-Ming Chen, “Synergistic Effect in a Metal-Organic Framework Boosting the Electrochemical CO2 Overall Splitting” J. Am. Chem. Soc. 2023, 145, 2439.
  18. Jia-Run Huang#, Xiao-Feng Qiu#, Zhen-Hua Zhao, Hao-Lin Zhu, Yan-Chen Liu, Wen Shi, Pei-Qin Liao*, Xiao-Ming Chen, “Single-Product Faradaic Efficiency for Electrocatalytic of CO2 to CO at Current Density Larger than 1.2 A cm−2 in Neutral Aqueous Solution by a Single-Atom Nanozyme” Angew. Chem. Int. Ed. 2022, 61, e202210985.
  19. Zicong Marvin Wong#, Xue Yong#, Tianqi Deng, Wen Shi, Gang Wu*, Ning Li, He-Kuan Luo, Shuo-Wang Yang*, “Neutral Antiaromatic Bis(1,2-dithiolene)-Chelated Nickel Complexes Bearing Multi-Radical Characters” J. Phys. Chem. A 2022, 126, 5552.
  20. Tianqi Deng, Wen Shi, Zicong Wong, Gang Wu*, Xiaoping Yang, Jin-Cheng Zheng, Hui Pan, Shuo-Wang Yang*, “Designing Intrinsic Topological Insulators in Two-Dimensional Metal-Organic Frameworks.” J. Phys. Chem. Lett. 2021, 12, 29, 6934.
  21. Anqi Lv, Ze Yu, Yufeng Mao, Xiaoyan Zheng, Wen Shi, Huifang Shi, Wei Yao, Huili Ma*, Zhongfu An, “Molecular Conformation Dependence of Phosphorescence Lifetime in Organic Aggregates.” Dyes and Pigments 2021, 193, 109520.
  22. Tianqi Deng, Gang Wu*, Wen Shi, Zicong Marvin Wong, Jian-Sheng Wang, Shuo-Wang Yang*, “Ab Initio Dipolar Electron-Phonon Interactions in Two-Dimensional Materials.” Phys. Rev. B 2021, 103, 075410.
  23. Xue Yong, Gang Wu*, Wen Shi, Zicong Marvin Wong, Tianqi Deng, Qiang Zhu, Xiaoping Yang, Jian-Sheng Wang, Jianwei Xu, Shuo-Wang Yang*, “Theoretical Search for High-Performance Thermoelectric Donor-Acceptor Copolymers: The Role of Super-Exchange Couplings.” J. Mater. Chem. A 2020, 8, 21852.
  24. Zicong Marvin Wong, Tianqi Deng, Wen Shi, Gang Wu*, Shuo-Wang Yang*, “Strain Effects on the n-Type Thermoelectric Performance of Small-Molecule Organic Semiconductor 2-5-Difluoro-7,7,8,8-Tetracyanoquinodimethane.” ACS Appl. Energy Mater. 2020, 3, 10174.
  25. Xinyi Chen, Wen Shi, Kun Zhang*, “Observation of Energy-Dependent Carrier Scattering in Conducting Polymer Nanowires Blends for Enhanced Thermoelectric Performance.” ACS Appl. Mater. Interfaces 2020, 12, 34451.
  26. Zicong Marvin Wong, Tianqi Deng, Wen Shi, Gang Wu, Teck Leong Tan*, Shuo-Wang Yang*, “High Performance Photocatalytic and Thermoelectric Two-Dimensional Asymmetrically Ordered Janus-like MXene Alloy.” Mater. Adv. 2020, 1, 1176.
  27. Anas Abutaha#, Pawan Kumar#, Erol Yildirim#, Wen Shi, Shuo-Wang Yang, Gang Wu*, Kedar Hippalgaonkar*, “Correlating Charge and Thermoelectric Transport to Paracrystallinity in Conducting Polymers.” Nat. Commun. 2020, 11, 1737.
  28. Tianqi Deng, Yong Xue, Wen Shi, Zicong Marvin Wong, Gang Wu, Hui Pan, Jian-Sheng Wang, Shuo-Wang Yang*, “Beyond Mahan-Sofo Best Thermoelectric: High Thermoelectric Performance from Directional π-Conjugation in Two-Dimensional Poly(tetrathienoanthracene).” J. Mater. Chem. A 2020, 8, 4257.
  29. Yunpeng Liu, Wen Shi, Tianqi Zhao, Dong Wang*, Zhigang Shuai*, “Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation.” J. Phys. Chem. Lett. 2019, 10, 2493.
  30. Tianqi Deng, Xue Yong, Wen Shi, Chee Kwan Gan, Wu Li, Kedar Hippalgaonkar, Jin-Cheng Zheng, Xiaobai Wang, Shuo-Wang Yang, Jian-Sheng Wang, Gang Wu*, “Two-Dimensional Single-Layer π-Conjugated Nickel Bis(dithiolene) Complex: A Good-Electron-Poor-Phonon Thermoelectric Material.” Adv. Electron. Mater. 2019, 5, 1800892.
  31. Tian Zhang, Wen Shi, Dong Wang, Shuping Zhuo, Qian Peng*, Zhigang Shuai*, “Pressure-Induced Emission Enhancement in Hexaphenylsilole: A Computational Study.” J. Mater. Chem. C 2019, 7, 1388.
  32. 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.
  33. 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. 2017, 60, 275.
  34. Yuma Nakamura, Tianqi Zhao, Jinyang Xi, Wen Shi, Dong Wang*, Zhigang Shuai*, “Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings.” Adv. Electron. Mater. 2017, 3, 1700143.
  35. Huili Ma, Wen Shi, Jiajun Ren, Wenqiang Li, Qian Peng*, Zhigang Shuai*, “Electrostatic Interaction-Induced Room-Temperature Phosphorescence in Pure Organic Molecules from QM/MM Calculations.” J. Phys. Chem. Lett. 2016, 7, 2893.
  36. 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.
  37. 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.
  38. 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.
  39. Dong Wang, Wen Shi, Jianming Chen, Jinyang Xi, Zhigang Shuai*, “Modeling Thermoelectric Transport in Organic Materials.” Phys. Chem. Chem. Phys. 2012, 14, 16505.