Lixiang Zhong

10PUBLICATIONS
25CO-AUTHORS
Condensed matter modelling and density functional theoryTheoretical quantum chemistryNonlinear optics and spectroscopyRadiation and matterHydrometallurgy
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Publications (10)

|Sep 04, 2026
Lithium solvation and interfacial structure in a ternary carbonate electrolyte at electrified graphite interface: Constant charge vs constant potential molecular dynamics.

|Apr 13, 2026
Unraveling the Stability of N-Doped Graphene Supported Single-Atom and Dual-Atom Catalysts From Pourbaix Diagram.

Youyu Meng, Lixiang Zhong

|Dec 17, 2025
Ultrafast dissociation dynamics of nitromethane: Enhanced efficiency under near-infrared vs ultraviolet excitation.

Yanjie Huang, Yamei Zhou, Danyang Zhang

|May 10, 2025
First-principles calculations of solid-phase enthalpy of formation of energetic materials.

Lixiang Zhong, Danyang Liu, Maoxin Hu

|Apr 14, 2025
Theoretical understanding of CO2 reduction products on nitrogen-doped graphene supported dual-atom catalysts.

Chunyuan Feng, Lixiang Zhong

|May 31, 2024
Alloying Pd with Ru enables electroreduction of nitrate to ammonia with ∼100% faradaic efficiency over a wide potential window.

Yue Hu, Jiawei Liu, Wenyu Luo

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Frequent Collaborators

3 joint publications

Shuzhou Li

3 joint publications

Liming Zhang

2 joint publications

Qingyu Yan

2 joint publications

Jiong Li