Hui Li

Professor, Full-time PI

Specializations: Theoretical and Computational Chemistry, Condensed

Matter Physics

Research interests: Simulation study of surface and interface science,

theoretical atmospheric chemistry

Email: hli@buct.edu.cn  

Phone:010-64197384

Office Location: B401 Chemical Engineering Bld.,

North Third Ring Road 15, Chaoyang District, Beijing

Group homepage：https://www.x-mol.com/groups/huili_buct

Academic achievements:

1.B. Li, S. Wang, Z. Tian*, G. Yao, H. Li*, L. Chen*, Understanding the CO2/CH4/N2 Separation Performance of Nanoporous Amorphous N-Doped Carbon Combined Hybrid Monte Carlo with Machine Learning. Adv. Theory Simul. 2022, 5, 2100378.

2.W. Zhu, Y. Li, S. Guo, W. Guo, T. Peng, H. Li, B. Liu, H. Peng*, B. Tang*, Stereoisomeric Engineering of Aggregation-Induced Emission Photosensitizers towards Fungal Killing. Nat. Comm., 2022, 13, 7046.

3.S. Du, X. Han, W. Cai, J. Zhu, X. Ma, S. Han, D. Chen, Y. Zhao, H. Li*, H. Lu*, X. Yu*, Formation of the structure-II gas hydrate from low-concentration propane mixed with methane, Chin. J. Chem. Eng., 2022, https://doi.org/10.1016/j.cjche.2022.10.014

  4.L. Liu, H. Li*, Hygroscopicity of ultrafine particles containing ammonium/alkylaminium sulfates: A Köhler model investigation with correction of surface tension. Atmos. Environ. 2023, 294, 119500.

5.Y. Yang, J. Qin, K. Hu, L. Luo*, A. Kumar, D. Zhou, Z. Zhuang, H. Li*, X. Sun*, Self-flooding behaviors on the fuel cell catalyst surface: an in situ mechanism investigation. Energy Environ. Sci., 2023, 16, 491–501.

6.X. Guo, H. Li*, Photolysis of nitrophenols in gas phase and aqueous environment: a potential daytime source for atmospheric nitrous acid (HONO). Environ. Sci. Atmos. 2023, 3, 143–155.

7.C. Xie, H. Li*, Multiscale simulations of nanofluidics: Recent progress and perspective. WIREs Comp. Mol. Sci. 2023, https://doi.org/10.1002/wcms.1661

8.C. Zhang, Y. Qu, H. Li*, Unraveling the influence of the topological structure and protonation of zeolites on the adsorption of nitrogen-containing waste gas. Chem. Eng. Sci., 2023, 269, 118492.

9.J. Yu, K. Hu, Z. Zhang, L. Luo*, Y. Liu, D. Zhou, F. Wang, Y. Kuang, H. Xu, H. Li*, H. Duan, X. Sun*, Interfacial Nanobubbles’ Growth at the Initial Stage of Electrocatalytic Hydrogen Evolution. Energy Environ. Sci., 2023, https://doi.org/10.1039/D2EE04143J.