李晖
教授
专业领域：物理化学、理论与计算化学
研究方向：能源与环境科学理论、多尺度模拟、人工智能模型
电子邮箱：2017500002@buct.edu.cn
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教育经历：
2003-09-01——2008-06-01 | 南京大学 | 博士研究生毕业 |
1999-09-01——2003-06-01 | 南京大学 | 大学本科毕业 |
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工作经历：
2017-01-11——至今 | 北京化工大学 |
2012-09-01——2017-01-01 | 中国科学院物理研究所 |
2009-08-01——2012-09-01 | 内布拉斯加大学林肯分校 |
2008-10-01——2009-07-01 | 新加坡国立大学 |
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开授课程：
本科生课程：
理论化学与分子模拟前沿，专业选修
中级物理化学，专业必修
纳米能源材料与器件，研讨课-学科交叉
能源材料与器件，研讨课-学科交叉
软物质功能材料，素质教育课程选修
研究生课程：
分子模拟方法，40学时
软物质科学的原理与应用，32学时
分子模拟方法（留学生），48学时
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科研项目：
1.（纵向项目）液相纳米气溶胶的成核生长过程、酸度模型与气液界面反应机制的理论模拟研究 ，国家自然科学基金项目，项目时间：2024-01-01至2027-12-31
2.（纵向项目）化工纳微尺度过程强化 ，国家自然科学基金项目，项目时间：2023-01-01至2027-12-31
3.（纵向项目）基于丰产元素催化剂的高稳定性阴离子交换膜电解水研究 ，国家重点研发计划，项目时间：2022-12-01至2027-11-30
4.（纵向项目）燃料电池三相反应界面原位观测、模拟及高性能膜电极的可控制备与器件集成 ，省、市、自治区科技项目，项目时间：2021-08-31至2025-08-31
5.（纵向项目）面向微纳介尺度过程强化的科学基础及应用 ，国家自然科学基金项目，项目时间：2020-01-01至2021-12-01
6.（纵向项目）气体超浸润微纳结构电极设计与传质动力学研究 ，国家自然科学基金项目，项目时间：2020-01-01至2024-12-31
7.（纵向项目）二维硼墨烯的生长机制和基础性质的第一性原理研究 ，国家自然科学基金项目，项目时间：2018-01-01至2021-12-31
8.（横向项目）基于深度势能分子动力学的木质素热解机理探究 ，企事业单位委托科技项目，项目时间：
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论文信息：
1.Chenxia Xie; Jie Shi; Yong Luo; Guang-Wen Chu; Hui Li; Mesoscale simulation investigation of droplet impacting behaviors on cylindrical surfaces, Chemical Engineering Science, 2023, 277(118848): 118848
2.Kadi Hu; Liang Luo; Xiaoming Sun; Hui Li; Unraveling the effects of gas species and surface wettability on the morphology of interfacial nanobubbles, Nanoscale advances, 2022, 4(13): 2893-2901
3.Liyuan Liu; Shaoxun Guo; Zheng Zhao; Hui Li; Free Energy Prediction of Ion-Induced Nucleation of Aqueous Aerosols, The Journal of Physical Chemistry A, 2022, 126(15)
4.Shang, Zhe; Zhao, Susu; Dang, Qian; Wang, Fengmei; Sun, Xiaoming; Li, Hui; A General Machine-Learning Framework for High-Throughput Screening for Stable and Efficient RuO2-Based Acidic Oxygen Evolution Reaction Catalysts, ACS Catalysis, 2025, 12835-12847
5.Shang, Zhe; Li, Hui; Unraveling pyrolysis mechanisms of lignin dimer model compounds: Neural network-based molecular dynamics simulation investigations, Fuel, 2024, 357(129909)
6.Wang, Shixian; Li, Hui; NO3 center dot-Initiated Gas-Phase Formation of Nitrated Phenolic Compounds in Polluted Atmosphere, Environmental Science amp; Technology, 2021, 55(5)
7.Wanrong Song; Shaoxun Guo; Hui Li; Size-dependent acidity of aqueous nano-aerosols, Phys. Chem. Chem. Phys., 2024, 26
8.Chanyu Zhang; Kadi Hu; Xuerui Liu; Yixin Qu; Liang Luo; Xiaoming Sun; Zhongbin Zhuang; Hui Li; Unraveling the Influence of Nafion Content on the Performance of Proton-Exchange Membrane Fuel Cells from the Perspective of Triple-Phase Boundary, Langmuir, 2024, 40
9.Shang, Zhe; Li, Hui; Distribution of Oxygen Vacancies in RuO2 Catalysts and Their Roles in Activity and Stability in Acidic Oxygen Evolution Reaction, Journal of Physical Chemistry Letters, 2025, 16(22): 5418-5428
10.Shang, Zhe; Shang, Zhe; Shang, Zhe; Li, Hui; Li, Hui; Li, Hui; Optimizing Ru-Zn Dual Sites in Ru1-x Zn x O2 for Efficient Acidic Water Oxidation via Oxide Path Mechanism, Journal of Physical Chemistry Letters, 2025, 16(50): 12919-12930
11.Dang, Qian; Shang, Zhe; Wang, Fengmei; Sun, Xiaoming; Li, Hui; Surface Hydroxylated MnDoped RuO2 as an Efficient and Stable Electrocatalyst for Acidic Oxygen Evolution Reaction, Journal of Physical Chemistry C, 2025, 17091-17101
12.Jingyan Zhang; Lei Li; Hui Li; Adsorption-Controlled Wettability and Self-Cleaning of TiO2, Langmuir, 2023, 39
13.Jinwen Yu; Kadi Hu; Zhengyi Zhang; Liang Luo; Yiwei Liu; Daojin Zhou; Yun Kuang; Haijun Xu; Hui Li; Haohong Duan; Xiaoming Sun; Interfacial Nanobubbles' Growth at the Initial Stage of Electrocatalytic Hydrogen Evolution, Energy Environ. Sci, 2023, 16: 2068-2079
14.Yingze Yang; Jingshan Qin; Kadi Hu; Liang Luo; Anuj Kumar; Daojin Zhou; Zhongbin Zhuang; Hui Li; Xiaoming Sun; Self-Flooding Behaviors on Fuel Cell Catalyst Surface: An In-Situ Mechanism Investigation, Energy amp;amp; Environmental Science, 2023, 16: 491-501
15.J. Fang; H. Wang; Q. Dang; H. Wang; X. Wang; J. Pei; Z. Xu; C. Chen; W. Zhu; H. Li; Y. Yan; Z. Zhuang; Atomically dispersed Iridium on Mo2C as an efficient and stable alkaline hydrogen oxidation reaction catalyst, Nature communications, 2024, 15(4236)
