李睿，博士，副教授，硕士导师。聊城大学"光岳计划"二层次人才。主要研究方向包括能源相关体系的多尺度模拟；机器学习与深度学习；数据驱动的新材料设计等。近年来，以第一作者/通讯作者在Journal of Membrane Science等国内外权威学术期刊发表SCI收录论文30余篇。主持国家自然科学青年基金1项，山东省自然科学基金2项，获聊城大学科学技术奖三等奖（首位）1项，山东省高等学校科学技术奖三等奖（第二位）1项。截至2026年，指导毕业硕士研究生6人，其中1人考取博士研究生，2人获国家奖学金，1人获聊城大学优秀硕士论文，1人获聊城大学研究生优秀创新成果奖。

一、代表性教研、科研项目：

[1] 国家自然科学基金青年项目, 氧分子电化学还原反应机制及其中间体行为的研究(21205056)，2013/01-2015/12, 25万元，主持.

[2] 山东省自然科学基金青年项目, 基于计算模拟的燃料电池阴极Pt基合金催化剂的优化设计(ZR2017QB010)，2017/08-2019/12, 15万元, 主持.

[3] 山东省自然科学基金面上项目, MXene/Graphene 型异质结构应用于钠离子电池负极的相关机理研究及理论筛选(ZR2021MB122)，2022/01-2024/12, 10万元, 主持.

 

二、代表性获奖：

[1] 能源材料表界面电子性质调控的理论研究，聊城大学自然科学奖三等奖，首位，2025.

[2] 基于分子动力学模拟的MXene材料优化设计及其应用研究，聊城大学研究生创新成果二等奖，指导教师，2025.

[3] 功能材料电化学催化与储能研究，山东省高等学校科学技术奖三等奖，第二位，2019.

 

三、代表性论文：

[1] Xiangcui Qiu, Yihao Zheng, Haibo Li, Konggang Qu, Hui Yan and Rui Li*, Unveiling gas transport mechanisms in tunable MXene nanochannels: Insights from molecular dynamics simulations, Journal of Membrane Science 715 (2025) 123459.

[2] Yihao Zheng, Xiangcui Qiu, Haibo Li, Konggang Qu, Hui Yan, and Rui Li*, Machine-Learning-Driven Prediction of Formation Energy and Compositional Design for IrRuRhMoW High-Entropy Alloys, Langmuir 2025, 41, 21846−21858.

[3] Yihao Zheng, Xiangcui Qiu, Haibo Li, Konggang Qu, Hui Yan and Rui Li*, Predicting and Understanding Work Functions of Double Transition Metal MXenes via Interpretable Machine Learning Methods, Langmuir 2025, 41, 12520−12529.

[4] Xiaoshuang Wang, Lijun Wang, Mengnan Wu, Yihao Zheng, Ruirui Wang, Tong Shao, Suyuan Zeng, Aifeng Li, Rui Li*, Qiaoli Yue**, Portable and intelligent ratio fluorometry and colorimetry for dual-mode detection of dopamine based on B, N-codoped carbon dots and machine learning, Talanta 294 (2025) 128288.

[5] Xiangcui Qiu, Yihao Zheng, Haibo Li, Konggang Qu, and Rui Li*, Tuning Na-Ion Diffusion in MXene/Graphene Oxide Heterostructures: An Ab Initio Molecular Dynamics Study, Langmuir 2024, 40, 13155–13166.

[6] Xiangcui Qiu, Li Dai, Haibo Li, Konggang Qu, and Rui Li*, Pillaring Behavior of Organic Molecules on MXene: Insights from Molecular Dynamics Simulations, Langmuir 2023, 39, 14912−14921.

[7] Yuzhu Wang, Rulin Yang, Guangqiang Xu**, Xuanhua Guo, Bingzhe Dong, Qingfu Zhang*, Rui Li*, Qinggang Wang**, Zn-catalyzed coordination-insertion depolymerization strategy of poly (3-hydroxybutyrate) under bulk conditions, Polymer Degradation and Stability 214 (2023) 110413.

[8] Xiaoqian Qin, Li Dai, Haibo Li, Konggang Qu, Rui Li*, Enhanced HER catalysis based on MXene/N-doped graphene heterostructures: A first-principles study, International Journal of Hydrogen Energy 47 (2022) 15775-15782.

[9] Rui Li*, Peng Zhao, Xiaoqian Qin, Haibo Li, Konggang Qu, De-en Jiang, First-principles study of heterostructures of MXene and nitrogen-doped graphene as anode materials for Li-ion batteries, Surfaces and Interfaces 21 (2020) 100788.

[10] Rui Li, Weiwei Sun, Cheng Zhan, Paul R. C. Kent and De-en Jiang*, Interfacial and electronic properties of heterostructures of MXene and graphene, Phys. Rev. B, 2019, 99, 085429.

 

 

联系邮箱：lirui@lcu.edu.cn