李燕 博士 副教授 

材料科学与工程学院

邮箱：liyan0802@xjtu.edu.cn

通讯地址：陕西省西安市咸宁西路28号 西安交通大学

邮编：710049

2011/09-2016/07，中国科学院半导体研究所，凝聚态物理，博士

2007/09-2011/07，西安电子科技大学，电子科学与技术，学士

2019/11 -  至今，西安交通大学，材料学院，副教授

2016/07-2019/11，西安交通大学，材料学院，讲师

2017/03-2018/03，劳伦斯伯克利国家实验室，访问学者

运用第一性原理计算与分子动力学模拟方法，挖掘低维纳米材料及其异质结构所展现出的独特量子特性，探索这些材料在光电器件创新、高效二次电池开发、以及先进电催化技术等领域的前沿应用。迄今已在国际核心期刊上发表高质量论文近40余篇，其中作为第一作者或通讯作者的论文超过20篇，涵盖了Physics Review B, Physics Review Materials, Nano Research, Journal of Materials Chemistry A, Journal of Physical Chemistry Letters, Nanoscale, Journal of Materials Chemistry C及Applied Physics Letters等权威期刊，累计SCI他引3000余次。主持国家自然科学基金2项，博士后基金2项，陕西省自然科学基金2项，校级科研启动基金2项。

具体研究方向包括：

1.低维纳米材料及其异质结的新奇物理特性：通过理论建模与分析，探索低维纳米材料及其异质结构在磁学、谷极化、拓扑学、相变以及电输运等方面的新颖物理现象，为设计具有特定功能特性的新型材料提供了理论依据。

2.新型二维材料的电化学性能及其机器学习辅助研究：针对当前能源转换与存储领域的迫切需求，研究新型二维材料在二次电池及电催化反应中的电化学性能。结合机器学习算法，实现对材料性能的快速预测与优化筛选，加速从理论发现到实际应用的转化进程，为开发高效、稳定的电化学能源器件提供了强有力的理论支持。

25. Xinru Ma, Yuchen Lei, Hongwei Bao, Wenting Wu, Fei Ma* and Yan Li,* Strain-tunable and carrier-driven structural and magnetic phase transitions in one-dimensional dimerized MoX3 (X = Br, I) atomic chains, Phys. Rev. Mater., 16, 3443, 9, 034412 (2025).

24. Yan Li, Xinru Ma, Hongwei Bao, Jian Zhou*, Fei Ma* and Jingbo Li*, Carrier-driven magnetic and topological phase transitions in two-dimensional III-V semiconductors, Nano Research, 16, 3443, (2023).

23. Ce Mu, Hongqiang Xin, Qiaomei Luo, Yan Li* and Fei Ma*, Fabrication of Ru nanoclusters on Co-doped NiSe nanorods with efficient electrocatalytic activity towards alkaline hydrogen evolution via hydrogen spillover effect, J Mater. Chem. A, 11, 7016 (2023).

22. Yiwei Zhao, Yan Li^*, Mingxia Liu, Kewei Xu, Fei Ma*. Rotation angle dependent Li intercalation and the induced phase transition in bilayer MoTe2. Surfaces and Interfaces, 42 103497 (2023).

21. Yiwei Zhao, Yan Li*, Fei Ma*, Performance upper limit of sub-10 nm monolayer MoS2 transistors with MoS2-Mo electrodes, J. Phys. Chem. C, 126, 12100 (2022).

20. Xinyue Cao, Huizhong Bai, Wenting Wu, Hongwei Bao* and Yan Li*, Improving the catalytic activity of two-dimensional Mo2C for hydrogen evolution reaction by doping and vacancy defects, Inter. J. Hydrogen Energy, 47, 38517 (2022).

19. Weiwei Liu, Hongwei Bao, Yan Li* and Fei Ma, Highly tunable electronic structure and linear dichroism in 90° twisted phosphorus carbide bilayer: a first-principles calculation, Phys. Chem. Chem. Phys., 23, 7080 (2021). 

18. Zhao Yiwei, Yan Li*, SX He, Fei Ma*. Semiconductor-semimetal transition of MoTe2 monolayer modulated by charge-injection and strain engineering. Chem. Phys. Lett., 770 732 (2021).

17.Yan Li, Hongwei Bao, Jian Zhou* and Fei Ma*, Tunable charge density wave in a lateral black/blue phosphorene heterostructure: A first-principles calculation, Phys. Rev. B, 102, 165308 (2020).

16. Yiwei Zhao, Yan Li*, Mingxia Liu, Kewei Xu, Fei Ma*, Strain-controllable phase and magnetism transitions in Re-doped MoTe2 monolayer, J. Phys. Chem. C, 124, 4299 (2020).

15. Hafiz Humza Haseeb, Yan Li*, Sana Ayub, Qinglong Fang, Lijun Yu, Kewei Xu, Fei Ma*, Defective phosphorene as a promising anchoring material for Lithium-Sulfur batteriers, J. Phys. Chem. C, 124, 2739 (2020).

14. Yuyang Qi, Long Zhang, Lan Sun, Guanjun Chen, Qiaomei Luo, Hongqiang Xin, Jiahui Peng, Yan Li*, Fei Ma*, Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen, Nanoscale, 12, 1985 (2020). 

13. Yan Li, Wenting Wu and Fei Ma*, “Blue phosphorene/graphene heterostructure as a promising anode for lithium-ion batteries: a first-principles study with vibrational analysis techniques,” J. Mater. Chem. A, 7, 611, (2019).

 12. Yan Li, Fei Ma and Lin-Wang Wang*, “Phosphorene oxides as a promising cathode material for sealed non-aqueous Li-oxygen batteries,” J. Mater. Chem. A, 6, 7815, (2018).

11. Gangzha Liu^#, Yan Li^#, Bo Li, He Tian, Chao Fan*, Yonghui Zhang, Zhongqiu Hua, Mengjun Wang, Hongxing Zheng and Erping Li, "High-Performance Photodetectors based on Two-Dimensional Tin (II) Sulfide (SnS) Nanoflakes" J. Mater. Chem. C, 6, 10036 (2018).

10. Yan Li and Fei Ma*, “Size and strain tunable band alignment of black-blue phosphorene lateral heterostructures” Phys. Chem. Chem. Phys., 19, 12466, (2017).

9. Chao Fan^#, Yan Li^#, Fangyuan Lu, Huixiong Deng, Zhongming Wei and Jingbo Li, “Wavelength Dependent UV-Vis Photodetectors of SnS₂ Flakes” RSC Adv. 6, 422 (2016).

8. Yan Li, Zhongming Wei and Jingbo Li, “Modulation of the Electronic Properties of Phosphorene by Wrinkle and Vertical Electric Field,” Appl. Phys. Lett., 107, 112103 (2015).

7. Yan Li, Hui Chen, Le Huang and Jingbo Li, “Ab Initio Study of the Dielectric and Electronic Properties of Multilayer GaS Films,” J. Phys. Chem. Lett. 6, 1059, (2015).

6. Hui Chen, Yan Li*, Le Huang and Jingbo Li, Qu “Influential Electronic and Manetic properties of the Gallium Sulfide Monolayer by Substitutional Doping”, J. Phys. Chem. C 119, 29148 (2015).

5. Hui Chen, Yan Li*, Le Huang and Jingbo Li, “Intrinsic Defects in Gallium Sulfide Monolayer: A First-Principles Study,” RSC Adv. 5, 50883 (2015).

4. Yan Li, Shengxue Yang and Jingbo Li, “Modulation of the Electronic Properties of Ultrathin Black Phosphorus by Strain and Electrical Field,” J. Phys. Chem. C 118, 23970 (2014).

3. Yan Li, Jun Kang and Jingbo Li, “Indirect-to-Direct Band Gap Transition of the ZrS₂ Monolayer by Strain: First-Principles Calculations,” RSC Adv. 4, 7396 (2014).

2. Yan Li, Sefaattin Tongay, Qu Yue, Jun Kang, Junqiao Wu, Jingbo Li, “Metal to Semiconductor Transition in Metallic Transition Metal Dichalcogenides,” J. Appl. Phys. 114, 174307 (2013).

1. Yan Li, Qu Yue, “First-Principles Study of Electronic and Magnetic Properties of FeCl3-based Graphite Intercalation Compounds,” Physica B, 425, 72 (2013).