职称：教授、博士生导师

邮箱：liyanlu@sdu.edu.cn

研究领域：晶体缺陷形成机理、控制及有效利用基础研究；晶体生长基元和生长微观过程探索；晶体表、界面特性及物理耦合效应研究；晶体缺陷的智能识别及功能晶体的高通量设计

个人简历

李妍璐，女，教授，博士生导师，山东大学齐鲁青年学者。曾于2012-2014年在德国帕德博恩大学理论物理系从事博士后研究，主要从事功能晶体材料缺陷和表界面特性的基础研究，结合第一性原理、分子动力学、机器学习等多尺度的先进理论计算方法、球差电镜等原位研究和表征手段，探索功能晶体功能基元及构效关系、晶体缺陷形成、控制和有效利用途径、表界面作用规律和设计、以及晶体生长微观过程和机制等。作为项目负责人承担了国家自然科学基金、ZB预研项目等多项国家级和省部级项目，在Adv. Mater.、Appl. Catal. B- Environ.、ACS Nano、Energy Storage Mater.等期刊上发表论文近百篇，撰写专著1部。目前兼任中国稀土学会稀土晶体专业委员会委员、稀土学报（英文版）青年编委、Molecules期刊Special Issue编委和多个SCI期刊审稿人。

学习与工作经历

2021.9—至今，教授，博士生导师，山东大学晶体材料研究院

2014.12—2021.8，副研究员/副教授，博士生导师，山东大学晶体材料研究院

2012.6—2014.12，博士后，德国帕德博恩大学理论物理系

2007.9—2011.12博士，山东大学晶体材料研究所，材料物理与化学专业

2003.9—2007.7，本科，济南大学材料科学与工程学院，材料物理专业

代表性论文、论著

迄今在Adv. Mater.、Appl. Catal. B、ACS Nano等学术期刊发表SCI论文100余篇，近五年代表性论文如下：

1. Xinxin Song, Linyu Bai, Chenggang Wang, Dongdong Wang, Kun Xu, Jingjing Dong, Yanlu Li,* Qiang Shen, Jian Yang,* "Synergistic cooperation of Zn(002) texture and amorph zinc phosphate for dendrite-free anodes" ACS Nano 17, 15113 (2023).

2. Xingyun Luo, Yanlu Li, * Xian Zhao, “Theoretical design of defects as a driving force for ion transport in Li3OBr solid electrolyte” Energy Environ. Mater. 0, e12627 (2023).

3. Linyu Bai, Dongjie Liu, Xian Zhao, Fapeng Yu,* Yanlu Li, * “Intrinsic defects and the inducing conduction mechanism of langasite-type high-temperature piezoelectric crystals” ACS Appl. Mater. Interfaces 15, 3152 (2023).

4. Yapeng Wang, Xinguang Xu, Xian Zhao, Weixiao Ji, Qiang Cao, Shengshi Li, Yanlu Li,* “Switchable half-metallicity in A-type antiferromagnetic NiI2 bilayer coupled with ferroelectric In2Se3” npj Comput. Mater. 218 (2022).

5. Changhui Liu, Qingshan Bao, Xian Zhao, Yanlu Li,* “Regulation of electronic structures to boost efficient nitrogen fixation: synergistic effects between transition metals and boron nanotubes” ACS Appl. Mater. Interfaces 14, 30626 (2022).

6. Bin Chang, Li Lili, Dong Shi, Hehe Jiang, Zizheng Ai, Shouzhi Wang, Yongliang Shao, Jianxing Shen, Yongzhong Wu, Yanlu Li,* Xiaopeng Hao,* “Metal-free boron carbonitride with tunable boron Lewis acid sites for enhanced nitrogen electroreduction to ammonia” Appl. Catal. B- Environ. 283, 119622 (2021).

7. Kunfeng Chen, Yanlu Li, Chao Peng, Zheng Lu, Xingyun Luo, Dongfeng Xue,*“Microstructure and defect characteristics of lithium niobate with different Li concentrations”Inorg. Chem. Front. 8, 4006 (2021).共同一作

8. Xiucai Sun, Xingyun Luo, Yanlu Li,* Fapeng Yu, Xian Zhao, “Effect and Mechanism of Hydrogen-Assisted Sulfur Intercalation for Decoupling Graphene from Cu(111) Substrate: A First-Principles Study” Appl. Surf. Sci. 567, 150866 (2021).

9. Xiucai Sun, Xingyun Luo, Yanlu Li,* Fapeng Yu, Xian Zhao, Lei Yang, “Effects of H2 pre-etching on BN seed morphology and induced graphene synthesis on Cu substrate: A theoretical study” Appl. Surf. Sci. 537, 148093 (2021).

10. Xinyu Lu, Lili Li, Shiwei Tian, Yanlu Li,* Fapeng Yu*, Xiufeng Cheng, Xian Zhao, “Origin of the abnormal reduction of the dielectric response for ReCOB crystals and its mechanism: theoretical and experimental exploration” J. Mater. Chem. C 8, 10109 (2020).

11. Xingyun Luo, Xiucai Sun, Yanlu Li,* Fapeng Yu, Li Sun, Xiufeng Cheng, Xian Zhao,* “Theoretical prediction of eliminating the buffer layer and achieving charge neutrality for epitaxial graphene on 6H-SiC(0001) via boron compound intercalations” Carbon 161, 323-330 (2020).

12. Xiucai Sun, Xingyun Luo, Zhen Su, Fapeng Yu, Yanlu Li,* Xiufeng Cheng, Xian Zhao,* “Effect of BN seeds on locating and promoting the initial nucleation of graphene on Cu substrate and its mechanism: A theoretical study” Appl. Surf. Sci. 523, 146469 (2020).

13. Lili Li, Yanlu Li,* Xian Zhao,* Xiufeng Cheng, Yongjun Fan, “Abnormal lattice occupation of Mo and related polarons in LiNbO3: Hybrid density functional theory investigation” J. Materiomics 6, 183-191 (2020).

14. Zhen Su, Xiucai Sun, Xizheng Liu, Jing Zhang, Li Sun, Xue Zhang, Zhenxing Liu, Fapeng Yu,* Yanlu Li,* Xiufeng Cheng, Yi Ding, Xian Zhao, “A strategy to prepare high-quality monocrystalline graphene: Inducing graphene growth with seeding chemical vapor deposition and its mechanism” ACS Appl. Mater. Interfaces 12, 1306-1314 (2020).

15. Shiwei Tian, Lili Li, Xinyu Lu, Fapeng Yu,* Yanlu Li,*Chao Jiang, Xiulan Duan, Zhengping Wang, Shujun Zhang, Xian Zhao, “Electrical conduction mechanism of rare-earth calcium oxyborate high temperature piezoelectric crystals” Acta Mater. 183, 165-171 (2020).

16. Xingyun Luo, Guojun Liang, Xiucai Sun, Yanlu Li,* Fapeng Yu, Lei Wei, Xiufeng Cheng, Li Sun, Xian Zhao, “Charge-neutral epitaxial graphene on 6H-SiC(0001) via FeSi intercalation” Carbon 156, 187-193 (2020).

17. Yunjie Li, Xiucai Sun, Zhenjie Cheng, Xiao Xu, Jun Pan, Xianfeng Yang, Fang Tian, Yanlu Li,* Jian Yang,* Yitai Qian, “Mesoporous Cu2-xSe nanocrystals as an ultrahigh-rate and long-lifespan anode material for sodium-ion batteries” Energy Storage Mater. 22, 275-283 (2019).

18. Shiwei Tian, Lili Li, Feifei Chen, Chao Jiang, Fapeng Yu,* Yanlu Li,* Xiulan Duan, Zhengping Wang, Shujun Zhang, Xian Zhao, “The recoverable electric properties in YCa4O(BO3)3 single crystal” J. Materiomics 5, 363-371(2019).

19. Shouzhi Wang, Lili Li, Yongliang Shao, Lei Zhang, Yanlu Li,* Yongzhong Wu, Xiaopeng Hao* “Transition-metal oxynitride: A facile strategy for improving electrochemical capacitor storage” Adv. Mater. 31, 1806088 (2019).

20. Xiucai Sun, Zhen Su, Jing Zhang, Xizheng Liu, Yanlu Li,* Fapeng Yu,* Xiufeng Cheng, Xian Zhao, “Graphene nucleation preference at CuO defects rather than Cu2O on Cu(111): A combination of DFT calculation and experiment” ACS Appl. Mater. Interfaces 10, 43156-43165 (2018).

21. Xiaoli Sun, Baitao Zhang, Yanlu Li,* Xingyun Luo, Guoru Li, Yanxue Chen, Chengqian Zhang, Jingliang He, “Tunable ultrafast nonlinear optical properties of graphene/MoS2 van der Waals heterostructures and their application in solid-state bulk lasers” ACS Nano 12, 11376-11385 (2018).

*通讯作者

科研项目

2023.01-2025.12，山东大学齐鲁青年学者计划，负责人

2021.01-2023.12，晶体材料国家重点实验室青年人才培育项目，负责人

2020.01-2020.12，晶体材料国家重点实验室自主课题，负责人

2019.01-2023.12，山东大学青年学者未来计划，负责人

2018.01-2019.12，晶体材料国家重点实验室自主课题，负责人

2016.01-2018.12，国家自然科学基金青年项目，负责人

2015.12-2017.12，中物院横向课题，负责人

其他介绍

学术兼职：

中国稀土学会稀土晶体专业委员会委员

稀土学报（英文版）青年编委

Molecules期刊Special Issue编委

Advanced Materials、ACS Nano等多个SCI期刊审稿人

主讲研究生课程：

《材料分子模拟》

招生范围：

物理、化学、材料、人工智能（机器学习）专业，每年1-2名博士生，1-2名硕士生，有编程和机器学习经验者优先。