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Hui Li

Hui Li

Professor, Full-time PI

Specializations: Theoretical and Computational Chemistry, Condensed Matter Physics

Email: hli@buct.edu.cn  

Phone: 010-64197384

Office Location: High-Tech Innovation Building 805

Group homepagehttps://www.x-mol.com/groups/huili_buct

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Education:

1999-2003, Nanjing University, Department of Intensive Instructions, Bachelor's degree

2003-2008, Nanjing University, Department of Chemistry and Chemical Engineering, PhD in Theoretical and Computational Chemistry

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Working Experience:

2008-2009, National University of Singapore, postdoctoral fellow

2009-2012, Postdoctoral Fellow, University of Nebraska Lincoln, USA

2012-2017, Associate Researcher, Institute of Physics, Chinese Academy of Sciences

2017-present, Professor at Beijing University of Chemical Technology

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Research Interests:

1.First principles and multi-scale simulation research on surface physical and chemical problems

2.Micro nano scale chemical transfer model

3.Theoretical study on low dimensional materials

4.Data-driven design of functional materials

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Teaching:

1.Intermediate Physical Chemistry (Undergraduate Course)

2.Frontiers of Theoretical Chemistry and Molecular Simulation (Undergraduate Course)

3.Principles and Applications of Molecular Simulation (Graduate Course)

4.Principles of Soft Matter Science (Graduate Course)

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Funding:

1.First principles study on the growth mechanism and fundamental properties of two-dimensional borographene (2018.1-2021.12)

2.Theoretical Simulation Study on the Nucleation and Growth Process, Acidity Model, and Gas Liquid Interface Reaction Mechanism of Liquid Phase Nano Aerosols (2024.1-2027.12)

3.Design and Mass Transfer Dynamics Study of Gas Superwetting Micro Nano Structure Electrode (2020.1-2024.12)

4.In situ observation, simulation, and controllable preparation and device integration of high-performance membrane electrodes for three-phase reaction interfaces in fuel cells (2021.8-2025.8)

5.Research on high stability anion exchange membrane electrolysis of water based on high-yield element catalysts (2022.12-2027.11)

6.Scientific basis and applications for strengthening micro nano scale processes (January 2019 December 2021)

7.Chemical nanoscale process enhancement (2023.1-2027.12)

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Publications:

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.


Address:Beijing University of Chemical Technology, No. 15, North Third Ring Road, Chaoyang District, Beijing
Copyright ©:Beijing University of Chemical Technology International Research Center for Soft Matter
Email:baicjobs@mail.buct.edu.cn
Phone:86-10-64438262