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 rational design of catalysts and electrode materials; and (3) the properties and reaction mechanisms of novel energetic materials.

Over 40 peer-reviewed papers, including Nature Sustainability, JACS, Angew Chem, Advanced Materials, Advanced Energy Materials, ACS Nano, Nano Energy, ACS Catalysis, ACS Materials Letters, Green Chemistry, Nanoscale, etc.

Citations > 2000 times, H-index = 25

Full Publications and Citations:

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

Selected Publications

[1] 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).

[2] 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).

[3] 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).

[4] 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).

[5] 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).

[6] 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).

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

[8] 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).

[9] 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 (2021).

[10] Shang L#, Lv X#, Zhong L#, Li S*, Zheng G*. Efficient CO₂ electroreduction to ethanol by Cu₃Sn catalyst. Small Methods (2021).

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

[12] 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 (2020).

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

[14] 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).

[15] 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).

[16] 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).

[17] 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).

[18] Wei J, Zhong L, Xia H, Lv Z, Diao C, Zhang W, Li X, Du Y, Xi S, Salanne M, Chen X, Li S. Metal ion oligomerization inside electrified carbon micropores and its effect on capacitive charge storage. Advanced Materials (2021).

[19] Li J, Zhong L, Tong L, Yu Y, Liu Q, Zhang S, Yin C, Qiao L, Li S, Si R, Zhang J. Atomic Pd on graphdiyne/graphene heterostructure as efficient catalyst for aromatic nitroreduction. Advanced Functional Materials (2019).

[20] Niu B, Zhong L, Hao W, Yang Z, Duan X, Cai D, He P, Jia D, Li S, Zhou Y. First-principles study of the anisotropic thermal expansion and thermal transport properties in h-BN. SCIENCE CHINA Materials (2020).

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.