ZhongJun Li

11PUBLICATIONS
12CO-AUTHORS
Inorganic materials (incl. nanomaterials)Electrochemical energy storage and conversionTheory and design of materialsReaction kinetics and dynamicsMolecular and organic electronics
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Publications (11)

|May 22, 2026
High-throughput screening of two-dimensional multifunctional Janus M<sub>2</sub>X<sub>2</sub><i>via</i> machine learning force fields.

|Jan 21, 2026
Interface engineering in a Cu-CoO heterostructure for high-efficiency electrocatalytic nitrate reduction to ammonia.

Zhengguo Qu, Shengbo Zhang, Zhixian Mao

|Jun 12, 2025
High-Throughput Calculations of Two-Dimensional Auxetic M<sub>4</sub>X<sub>8</sub> (M = Transition Metals, X = Halogens) with Magnetism, Electrocatalysis, and Alkali Metal Battery Applications.

Haidi Wang, Wei Lin, Weiduo Zhu

|Jun 09, 2025
Microsecond-Scale Molecular Dynamics Simulation of Phase Transition of a Bilayer Ice: Kinetic Constraints in Confined Water.

Weiduo Zhu, Yiyao Li, Haidi Wang

|May 08, 2025
Au nanoparticles with oxygen vacancies on BiVO<sub>4</sub> for electrocatalytic nitrate reduction to ammonia.

Kui Hu, Shengbo Zhang, Zhixian Mao

|Oct 29, 2024
Two-dimensional multifunctional metal-organic frameworks with large in-plane negative Poisson ratios and photocatalytic water splitting properties.

Wei Lin, Huimiao Wang, Yaling Luo

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Frequent Collaborators

9 joint publications

Zhao Chen

9 joint publications

Haidi Wang

3 joint publications

Xiao Cheng Zeng

2 joint publications

Xingxing Li