李位，男，1989年7月生，博士，教授，博士生导师。入选2020年度湖南省芙蓉学者奖励计划青年学者、2021年湖南省湖湘青年英才。研究方向为光电及光催化材料激发态动力学。主持国家自然科学基金青年项目、湖南省自然科学基金青年项目、湖南农业大学神农学者青年英才I层次引进人才启动基金、湖南农业大学校青年科学基金。近年来以第一或通讯作者在Journal of American Chemical Society、ACS Energy Letters、Journal of the Physical Chemistry Letters、Journal of Materials Chemistry A、Chemistry of Materials等SCI期刊发表论文24篇。其中中科院I区(升级版)论文11篇。发表专章一部。目前共指导研究生4名，其中学硕3名，专硕1名。

 

学习经历：

2011.9-2017.6： 吉林大学，理论化学研究所，硕博连读研究生，物理化学。

2014.9-2015.9： 美国南加州大学，化学学院，联合培养博士生，物理化学。

2007.9-2011.6： 吉林师范大学，化学学院，本科，化学。

 

工作经历： 

2018.6-至今:    湖南农业大学，化学与材料科学学院，教授。

2 公共课本科：《大学物理实验》

国家课题：

国家自然科学基金青年项目，26万元，2020-2022，在研

省级项目：

1湖湘高层次人才聚集工程-创新人才，李位，2021RC3089，50万，2021/10-2026/01，在研，主持；

2湖南省自然科学基金青年项目，2020JJ5225， 5万，2020/01-2022/12，在研，主持；

3湖湘高层次人才聚集工程-创新人才，2021RC5006，Oleg V. Prezhdo，50万，2021/10-2023/10，在研，主持；

1. Wei Li,* Yalan She, and Oleg V. Prezhdo,* “Excited-state dynamics in metal halide perovskites: A theoretical perspective,” in Halide Perovskites for Photonics, edited by A. Vinattieri and Giacomo Giorgi (AIP Publishing, Melville, New York, 2021), pp. 6-1–6-54.

Peer-reviewed Articles：             

24. Wei Li,* Yalan She, Andrey S. Vasenko, Oleg V. Prezhdo*. Ab Initio Nonadiabatic Molecular Dynamics of Charge Carriers in Metal Halide Perovskites. Nanoscale, 2021, doi: 10.1039/d1nr01990b. 

 

23. Wei Li,* Juan Zhan, Xiaorui Liu, Jianfeng Tang, Wanjian Yin,* Oleg V. Prezhdo*. Atomic Mechanism of Passivation of Halide Vacancies in Lead Halide Perovskites by Alkali Ions. Chemistry of Materials, 2021, 33, 1285-1292 

 

22. Zhi Chen, Ziyao Liu, Juan Zhan, Yalan She, Pingzhi Zhang, Wei Wei, Chang Peng, Wei Li,* Jianfeng Tang*. Resolving the Mechanism of Oxygen Vacancy Mediated Nonradiative Charge Recombination in Monoclinic Bismuth Vanadate. Chemical Physics Letters, 2021, 11, 10354-10361 

 

21. Zhi Chen, Ping-Zhi Zhang, Yu Zhou, Xingming Zhang, Xiaorui Liu, Zhufeng Hou, Jianfeng Tang,* and Wei Li*. Elucidating the Influence of Sulfur Vacancies on Nonradiative Recombination Dynamics in Cu2ZnSnS4 Solar Absorbers. Journal of Physical Chemistry Letters, 2020, 11, 10354-10361.   

   

20. Wei Wei, Wenhui Ren, Wei Jian, Baohui Xia, Hongxing Zhang, Fuquan Bai,* Wei Li*. Stability, Aromaticity, and Photophysical Behaviors of Macrocyclic Molecules: A Theoretical Analysis. Frontiers in Chemistry, 2020, 8, 776. 

 

19. Wei Li,* Zhi Chen, Jianfeng Tang, Oleg V. Prezhdo*. Anti-Correlation Between Band-Gap and Carrier Lifetime in Lead Halide Perovskites under Compression Rationalized by Ab Initio Quantum Dynamics. Chemistry of Materials, 2020, 32 (11), 4707–4715. 

 

18. Wei Li, Andrey S. Vasenko, Jianfeng Tang,* Oleg V. Prezhdo*. Anharmonicity Extends Carrier Lifetimes in Lead Halide Perovskites at Elevated Temperatures. Journal of Physical Chemistry Letters, 2019, 10 (13), 3788-3804.     

 

17. Wei Li, Xu Zhang, Gang Lu*. Unraveling Photoexcitation Dynamics at “Dots-in-a-Perovskite” Heterojunctions from First-Principles. Journal of Materials Chemistry A, 2019, 7 (30), 18012-18019. 

 

16. Wei Li, Wenhui Ren, Zhi Chen, Teng-Fei Lu*, Lei Deng, Jianfeng Tang, Xingming Zhang*, Liang Wang*, Fu-Quan Bai. Theoretical design of porphyrin dyes with electron-deficit heterocycles towards near-IR light sensitization in dye-sensitized solar cells. Solar Energy, 2019, 188, 742-749.  

15. Wei Li*, Run Long*, Jianfeng Tang*, Oleg V. Prezhdo*. Influence of Defects on the Excited State Dynamics in Lead Halide Perovskites: Time-domain Ab Initio Studies (Journal Cover), Journal of Physical Chemistry Letters, 2019, 10 (13), 3788-3804. 

14. Wei Li, Yi-Yang Sun, Zhaohui Zhou, Linqiu Li, Jianfeng Tang*, Oleg V. Prezhdo*. Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy. Journal of American Chemical Society, 2018, 140 (46), 15753-15763. 

13. Wei Li*, Jianfeng Tang, David Casanova, Oleg V. Prezhdo*. Time-Domain Ab Initio Analysis Rationalizes the Unusual Temperature Dependence of Charge Carrier Relaxation in Lead Halide Perovskite. ACS Energy Letters, 2018, 3 (11), 2713-2720. 

12. Wei Li, Liujiang Zhou, Oleg V. Prezhdo*, Alexey V. Akimov*. Spin–Orbit Interactions Greatly Accelerate Nonradiative Dynamics in Lead Halide Perovskites. ACS Energy Letters. 2018, 3 (9), 2159-2166. 

11. Wei Li*, Run Long, Zhufeng Hou, Jianfeng Tang, Oleg V. Prezhdo*. Influence of Encapsulated Water on Luminescence Energy, Line Width, and Lifetime of Carbon Nanotubes: Time Domain Ab Initio Analysis. Journal of Physical Chemistry Letters, 2018, 9, 4006-4013. 

10. Wei Li*, Teng-Fei Lu, Wen-Hui Ren, Lei Deng, Xingming Zhang, Liang Wang, Jianfeng Tang*, Aleksey E. Kuznetsov*. Influence of Exciton-Delocalizing Ligands on the Structural, Electronic, and Spectral Features of the Cd33S33 Quantum Dot: Insights from Computational Studies. Journal of Materials Chemistry C, 2018, 6, 8751-8761. 

9. Teng-Fei Lu, Wei Li*, Hong-Xing Zhang*. Rational design of metal-free organic D-π-A dyes in dye-sensitized solar cells: Insight from density functional theory (DFT) and time-dependent DFT (TD-DFT) investigations. Organic Electronics, 2018, 59, 131-139. 

8. Teng-Fei Lu, Wei Li*, Jie Chen, Jianfeng Tang, Fu-Quan Bai, Hong-Xing Zhang*. Promising pyridinium ylide based anchors towards high-efficiency dyes for dye-sensitized solar cells applications: Insights from theoretical investigations. Electrochimica Acta, 2018, 283, 1798-1805. 

7. Wei Li, Jin Liu, Fu-Quan Bai, Hong-Xing Zhang*, Oleg V. Prezhdo*. Hole Trapping by Iodine Interstitial Defects Decreases Free Carrier Losses in Perovskite Solar Cells: A Time-Domain Ab Initio Study. ACS Energy Letters, 2017, 2 (6), 1270-1278. 

6. Teng-Fei Lu, Wei Li*, Fu-Quan Bai, Ran Jia, Jie Chen*, Hong-Xing Zhang*. Anionic Ancillary Ligands in Cyclometalated Ru (II) Complexes Sensitizers Improves the Photovoltaic Efficiency of Dye-sensitized Solar Cells: Insights from Theoretical Investigations. Journal of Materials Chemistry A, 2017, 5, 15567-15577. 

5. Wei Li, Fu-Quan Bai*, Jie Chen, Jian Wang, Hong-Xing Zhang*. Planar amine-based dye features the rigidified O-bridged dithiophene π-spacer: A potential high-efficiency sensitizer for dye-sensitized solar cells application. Journal of Power Sources, 2015, 275, 207-216. 

4. Wei Li, Luis GC Rego, Fu-Quan Bai*, Jian Wang, Ran Jia, Li-Ming Xie, Hong-Xing Zhang*. What Makes Hydroxamate a Promising Anchoring Group in Dye-Sensitized Solar Cells? Insights from Theoretical Investigation. Journal of Physical Chemistry Letters, 2014, 5 (22), 3992-3999. 

3. Wei Li, Jian Wang, Jie Chen, Fu-Quan Bai*, Hong-Xing Zhang*. Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sensitized solar cells: the impacts of elongating π-spacers and rigidifying dithiophene. Physical Chemistry Chemical Physics, 2014, 16, 9458-9468. 

2. Wei Li, Luis GC Rego, Fu-Quan Bai*, Chui-Peng Kong, Hong-Xing Zhang*. Theoretical investigation of the adsorption, IR, and electron injection of hydroxamate anchor at the TiO2 anatase (1 0 1) surface. Rsc Advances, 2014, 4, 19690-19693. 

1. Wei Li, Jian Wang, Jie Chen, Fu-Quan Bai, Hong-Xing Zhang*. Theoretical investigation of triphenylamine-based sensitizers with different π-spacers for DSSC. Spectrochimica acta. Part A, 2014, 118, 1144-1151.

2.唐敖庆化学奖学金，2015

3.吉林大学优秀博士论文，2017

4.湖南省“芙蓉学者奖励计划”青年学者，2020

5.湖南省“湖湘青年英才”，2021