Ph. D., Nanyang Technological University, Singapore, 2016-2020
M. S., Tsinghua University, China, 2013-2016
B. S., University of Science and Technology of China, China, 2008-2012

Assistant Professor, School of Physics, Beijing Institute of Technology, China, 2022-present.
Research Fellow, EnRI, Nanyang Technological University, Singapore, 2020-2021

Our group are interested in studying reaction mechanisms, energetic materials, and new energy fields by theoretical and computational methods, including density functional calculations, molecular dynamics, and finite element analysis. Currently, our group is focusing on three directions: (1) reaction mechanisms in catalysis; (2) the properties and reaction mechanisms of energetic materials; and (3) the rational design of catalysts and electrode materials.

Over 60 peer-reviewed papers, including Nature Sustainability, JACS, Angew Chem, Advanced Materials, Advanced Energy Materials, ACS Nano, ACS Catalysis, Nano Energy, etc.

Citations > 3800 times, H-index = 27

Full Publications and Citations:

https://scholar.google.com/citations?user=4Dxov5YAAAAJ&hl=en

Selected Publications

[1]      Li Z, Shi Z, Ou Y, Zhong L*, Yan C*, Zhang C, Song K, Liu H, Liu D, Song P, Yin C, Qi Z, Song L, Lv C*. Pulsed Electrocatalysis Driven Efficient Ammonia Synthesis by Facilitating *NOOH Formation and Balancing *H Supply. Angewandte Chemie International Edition (2025).

[2]      Zhang C, Wang Q, Li Z, Liu H*, Zhong L*, Liu J, Wang Z, Wu R, Song P, Chen W-J, Qi Z, Yan C, Song L, Yan Q*, Lv C*. Enabling Unconventional “Alternating-Distal” N₂ Reduction Pathway for Efficient Ammonia Electrosynthesis. Angewandte Chemie International Edition (2025).

[3]      Zhong L*, Liu D*, Hu M, Yang X, Liu R*, Yao Y. First-principles calculations of solid-phase enthalpy of formation of energetic materials. Communications Chemistry (2025).

[4]      Feng C, Zhong L*. Theoretical Understanding of CO₂ Reduction Products on Nitrogen-Doped Graphene Supported Dual-Atom Catalysts. Physical Chemistry Chemical Physics (2025).

[5]      Wang X, Wang C, Hou Y, Qian Y*, Zhong L*. Surface Air Stability of Layered Transition Metal Oxide NaMnO₂ with Different Crystalline Phases. Journal of Physical Chemistry C (2025).

[6]      Li W, Zhang T, Feng C, Chen M, Sun Z, Handberg E S S, Wang B, Zhong L*, Dai C*. Highly Efficient Simultaneous Photocatalytic Reduction of CO₂ and O₂ from Air Using Conjugated Microporous Polymers with Ionic Imidazolium Sites. Energy & Environmental Materials (2025).

[7]      Wu W, Chen M, Feng C, Li W, Zhang T, Zeng C, Wang B, Zhong L*, Dai C*. Metal-free polymer photocatalysts for efficient gas-phase reduction of atmospheric CO₂ and simultaneous H₂O₂ production. Green Chemistry (2025).

[8]      Wang Y, Yang X, Yi W, Liu X, Sun H, Zhang X, Yang S, Du Y, Zhao J, Lv Y, Ding C, Zhong L*, Liu R*. High-Precision Quantification and Low Detection Limits of Chlorine and Fluorine in Coal via Laser-Induced Breakdown Spectroscopy. Journal of Analytical Atomic Spectrometry (2025).

[9]      Li Z, Wang Q, Zhong L*, Yan C, Shi Z, Ou Y, Shang Y, Zhang C, Tian S, Liu H*, Liu D, Song P, Qi Z, Song L, Lv C*. Boosting ammonia electrosynthesis via interfacial tandem nitrate reduction enabled by an amorphous@crystalline electrocatalyst. Materials Today (2025).

[10]   Hu Y, Liu J, Luo W, Dong J, Lee C, Zhang N, Chen M, Xu Y, Wu D, Zhang M, Zhu Q, Hu E, Geng D*, Zhong L*, Yan Q*. Alloying Pd with Ru enables electroreduction of nitrate to ammonia with ∼100% faradaic efficiency over a wide potential window. Chemical Science (2024).

[11]   Wu W, Feng C, Chen M, Tan Q, Deng Y, Zeng C, Zhong L*, Dai C*. Novel benzimidazole-linked microporous conjugated polymers for highly selective adsorption and photocatalytic reduction of diluted CO₂. Green Chemistry (2023).

[12]   Yin Y, Zhang X, Li A, Lyu J, Zhong L*, Liu R*. High-Precision and Rapid In Situ Ore Element Detection Based on Laser-Induced Breakdown Spectroscopy. Journal of Physical Chemistry C (2023).

[13]   Li A, Zhang X, Yin Y, Wang X, He Y, Shan Y, Ying Z, Liu X, Zhong L*, Liu R*. High-accuracy measurement on heat of detonation with good robustness by laser induced breakdown spectroscopy of Energetic Materials. Journal of Analytical Atomic Spectrometry (2023).

[14]   Chai C, Shu Q, Su Q, Wang J, Lv X, Wang D*, Zhong L*. Theoretical investigation on intermolecular interactions, co-crystal structure, thermal decomposition mechanism, and shock properties of 3-nitro-1,2,4-triazol-5-one (NTO) and ammonium perchlorate. CrystEngComm (2023).

[15]   Li Q, Zhang J*, Zhong L*, Geng F, Tao Y, Geng C, Li S, Hu B, Yang Q-H*. Unraveling the key atomic interactions in determining the varying Li/Na/K storage mechanism of hard carbon anodes. Advanced Energy Materials (2022).

[16]   Lv C#, Zhou X#, Zhong L#, Yan C, Srinivasan M, Seh Z W, Liu C, Pan H, Li S*, Wen Y*, Yan Q*. Machine learning: an advanced platform for materials development and state prediction in lithium ion batteries. Advanced Materials (2022).

[17]   Shang L#, Lv X#, Zhong L#, Li S*, Zheng G*. Efficient CO₂ electroreduction to ethanol by Cu₃Sn catalyst. Small Methods (2022).

[18]   Lv C#, Zhong L#, Liu H#, Fang Z, Yan C, Chen M, Kong Y, Lee C, Liu D, Li S*, Liu J, Song L*, Chen G, Yan Q*, Yu G*. Selective electrocatalytic synthesis of urea with nitrate and carbon dioxide. Nature Sustainability (2021).

[19]   Zhong L, Zhang L*, Li S*. Understanding the activity of carbon-based single-atom electrocatalysts from ab initio simulations. ACS Materials Letters (2021).

[20]   Gu H#, Zhong L#, Shi G, Li J, Yu K, Li J, Zhang S, Zhu C, Chen S, Yang C, Kong Y, Chen C, Li S*, Zhang J*, Zhang L*. Graphdiyne/graphene heterostructure: a universal 2D scaffold anchoring monodispersed transition-metal phthalocyanines for selective and durable CO₂ electroreduction. Journal of the American Chemical Society (2021).

[21]   Zhu C#, Zhang Z#, Zhong L#, Hsu C-S#, Xu X, Li Y, Zhao S, Chen S, Yu J, Chen S, Wu M, Gao P, Li S*, Chen H M*, Liu K*, Zhang L*. Product-specific active site motifs of Cu for electrochemical CO₂ reduction. Chem (2021).

[22]   Zhong L, Li S*. Unconventional oxygen reduction reaction mechanism and scaling relation on single-atom catalysts. ACS Catalysis (2020).

[23]   Zhong L, Li S*. Crystal phase effect upon O₂ activation on gold surfaces through intrinsic strain. Nanoscale (2019).

[24]   Liang Q#, Zhong L#, Du C, Luo Y, Zhao J, Zheng Y, Xu J, Ma J, Liu C, Li S*, Yan Q*. Interfacing epitaxial dinickel phosphide to 2D nickel thiophosphate nanosheets for boosting electrocatalytic water splitting. ACS Nano (2019).

[25]   Dai C#, Zhong L#, Gong X, Zeng L, Xue C, Li S*, Liu B*. Triphenylamine based conjugated microporous polymers for selective photoreduction of CO₂ to CO under visible light. Green Chemistry (2019).

[26]   Liang Q#, Zhong L#, Du C, Luo Y, Zheng Y, Li S, Yan Q*. Achieving highly efficient electrocatalytic oxygen evolution with ultrathin 2D Fe-doped nickel thiophosphate nanosheets. Nano Energy (2018).

[27]   Zhong L, Li J*, Li Y*, Lu H, Du H, Gan L, Xu C, Chiang S W, Kang F. Unraveling the influence of metal substrates on graphene nucleation from first-principles study. Journal of Physical Chemistry C (2016).

We are looking for qualified students who are interested in computational physics and computational materials science. Applicants with backgrounds in Physics, Materials Science, or Chemistry could send their CVs to Dr. Zhong (zhonglx@bit.edu.cn) directly.