王冬 副教授
电话：
办公室：蒙民伟科技大楼南楼S-509
E-mail： dong913@tsinghua.edu.cn

讲授课程
物理化学B，理论化学物理
教育背景1991-1995 中国科学技术大学化学物理系，学士学位
1995-2000 中国科学技术大学化学物理系，博士学位
工作履历2001-2004 美国密歇根大学化学系，博士后
2004-2007 美国犹他大学化学系，博士后
2010-2016 清华大学化学系，副研究员
2016- 清华大学化学系，副教授
研究领域二维材料和新型热电材料的性质计算
溶液和表面分子组装的计算与模拟
学术成果代表论文
1. Jiangwei Li, Qin Yu (co-first Author), Yihui He, Constantinos C. Stoumpos, Guangda Niu, Giancarlo G. Trimarchi, Hang Guo, Guifang Dong,Dong Wang^*, Liduo Wang, and Mercouri G. Kanatzidis^*，Cs₂PbI₂Cl₂, All-Inorganic Two-Dimensional Ruddlesden–Popper Mixed Halide Perovskite with Optoelectronic Response,J. Am. Chem. Soc.2018, 140, 11085-11090.
2. Yajing Sun, Zhigang Shuai andDong Wang^*，Janus monolayer of WSeTe, a new structural phase transition material driven by electrostatic gating,Nanoscale2018, 10, 21629.
3. Yajing Sun, Zhigang Shuai,Dong Wang^*, Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics.Phys. Chem. Chem. Phys.2018, 20, 14024-14030.
4. Yajing Sun,Dong Wang^*and Zhigang Shuai, Puckered Arsenene: A Promising Room-Temperature Thermoelectric Material from First-Principles Prediction,J. Phys. Chem. C2017, 121, 19080-19086.
5. Tianqi Zhao, Yajing Sun, Zhigang Shuai, andDong Wang^*, GeAs₂: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency,Chem. Mater.2017, 29, 6261-6268.
6. Wen Shi, Zhigang Shuai andDong Wang^*, Tuning Thermal Transport in Chain-Oriented Conducting Polymers for Enhanced Thermoelectric Efficiency: A Computational Study,Adv. Funct. Mater. 2017, 27, **.
7. Tianqi Zhao,Dong Wang^*, Zhigang Shuai^*, Doping Optimization of Organic-inorganic Hybrid Perovskite CH3NH3PbI3 for High Thermoelectric Efficiency,Syn. Met.2017,225, 108-114.
8. 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,**.
9. 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, 275-283.
10. Jinghui Wang, Hongde Yu (co-first author), Xu Zhou, Xiaozhi Liu, Renjie Zhang, Zhixing Lu, Jingying Zheng, Lin Gu, Kaihui Liu,Dong Wang^*and Liying Jiao^*, Probing the crystallographic orientation of two-dimensional atomic crystals with supramolecular self-assembly,Nat. Commun.2017, 8, 377.
11. Yajing Sun,Dong Wang^*, and Zhigang Shuai^*, Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides: A Theoretical Prediction.J. Phys. Chem. C2016, 120, 21866-21870.
12. Zhiying Ma, Hua Geng*,Dong Wang^*, and Zhigang Shuai, Influence of alkyl side-chain length on the carrier mobility in organic semiconductors: herringbone vs. pi-pi stacking.J. Mater. Chem. C2016, 4, 4546-4555.
13. Gang Zhou andDong Wang*, High thermoelectric performance from optimization of hole-doped CuInTe2,Phys. Chem. Chem. Phys.2016,18, 5925-5931 (Inside back cover).
14. Tianqi Zhao, Wen Shi, Jinyang Xi,Dong Wang*, and Zhigang Shuai*, Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Predicted from First-Principles,Sci. Rep.2016, 7:19968.
15. Wen Shi, Tianqi Zhao, Jinyang Xi,Dong Wang*, and 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.
16. Gang Zhou andDong Wang*, Few-quintuple Bi2Te3 nanofilms as potential thermoelectric materials,Sci. Rep.2015, 5: 8099.
17. Xiaoyan Zheng, Hua Geng, Yuanping Yi, Qikai Li, Yuqian Jiang,Dong Wang*, Zhigang Shuai*, Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study.Adv. Funct. Mater.2014, 24, 5531-5540 (Frontispiece).
18. Zhigang Shuai*,Dong Wang, Qian Peng, and Hua Geng, Computational Evaluation of Optoelectronic Properties for Organic/Carbon Materials.Acc. Chem. Res.2014, 47, 3301-3309.
19. Wen Shi, Jianming Chen, Jinyang Xi,Dong Wang* and 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.
20. Jinyang Xi, Tianqi Zhao,Dong Wang*, and Zhigang Shuai*, Tunable Electronic Properties of Two-Dimensionalb Transition Metal Dichalcogenide Alloys: A First-Principles Prediction.J. Phys. Chem. Lett.2014, 5, 285-291.
21. Xiaoyan Zheng, Zhigang Shuai* andDong Wang*, Anion-Binding Properties of π-Electron Deficient Cavities in Bis(tetraoxacalix[2]arene[2]triazine): A Theoretical Study,J. Phys. Chem. A2013, 117, 3844-3851.
22. Jianming Chen, Jinyang Xi,Dong Wang* and Zhigang Shuai*, Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction,J. Phys. Chem. Lett.2013, 4, 1443-1448.
23. Xiaoyan Zheng,Dong Wang* and Zhigang Shuai*, Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly,Nanoscale2013, 5, 3681-3689.
24. Dong Wang, Wen Shi, Jianming Chen, Jinyang Xi, Zhigang Shuai*, Modeling thermoelectric transport in organic materials,Phys. Chem. Chem. Phys.2012, 14, 16505-16520 (Cover).
25. Jianming Chen,Dong Wang*, Zhigang Shuai*, First-Principles Predictions of Thermoelectric Figure of Merit for Organic Materials: Deformation Potential Approximation,J. Chem. Theory Comput.2012, 8, 3338-3347.
26. Xing Gao, Qian Peng, Yingli Niu,Dong Wang*, Zhigang Shuai*, Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study,Phys. Chem. Chem. Phys.2012, 14, 14207-14216.
27. Xiaoyan Zheng,Dong Wang*, Zhigang Shuai, Xi Zhang, Molecular dynamics simulations of the supramolecular assembly between an azobenzene-containing surfactant andα-cyclodextrin: Role of photoisomerization,J. Phys. Chem. B2012,116, 823-832.
28. Dong Wang, Ling Tang, Mengqiu Long, Zhigang Shuai*, Anisotropic thermal transport in organic molecular crystals from nonequilibrium molecular dynamics simulations,J. Phys. Chem. C2011, 115, 5940-5946.
29. Dong Wang, Liping Chen, Renhui Zheng, Linjun Wang, Qiang Shi*,A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals,J. Chem. Phys.2010, 132, 081101.