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Physical Chemistry Chemical Physics : PCCP|December 2, 2025
Screening copper-based single-atom alloy catalysts for electrochemical nitrogen reductionHengzhi Liu, Yang-Gang Wang
Angewandte Chemie (International Ed. in English)|November 11, 2025
Covalently Anchored Cationic Groups Tailor Electric Double Layer for Supporting-Electrolyte-Free CO2 Reduction in Acidic MediaXinyi Zou, Hengzhi Liu, Guotao Lai, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|January 26, 2022
Atomistic Molecular Dynamics Simulation Study on the Interaction between Atomically Precise Thiolate-Protected Gold Nanoclusters and Phospholipid MembranesHengzhi Liu, Yong Pei
Nanoscale|August 6, 2024
Theoretical calculations and simulations power the design of inorganic solid-state electrolytesLirong Xia, Hengzhi Liu, Yong Pei
Inorganic Chemistry|April 29, 2024
Mechanism Insight into Metal Exchange between Au25(SR)18-/Ag25(SR)18- Clusters and Metal Ions from Ab Initio Molecular Dynamics SimulationsHengzhi Liu, Pu Wang, Yong Pei
Plos One|June 24, 2025
The relationship between fibular head height and lower limb alignment deviation and severity after TKA for varus deformity knee osteoarthritisXun Qin, Hengzhi Liu, Yinghao Liu, et al.
The Journal of Physical Chemistry. A|July 9, 2024
Chiral Inversion of Au40(SR)24 Nanocluster Driven by Rotation of Gold Tetrahedra in the Kekulé-like CoreHengzhi Liu, Ying Yang, Zhongyun Ma, et al.
The Journal of Physical Chemistry Letters|June 30, 2025
How Grain Boundaries Impede Lithium-Ion Diffusion and Induce Dendrite Growth: Insights from First-Principle Calculations and Deep Potential Molecular Dynamic SimulationsLirong Xia, Hengzhi Liu, Zhenxing Zhang, et al.
Small (Weinheim an Der Bergstrasse, Germany)|August 7, 2024
Hetero and Homo Metal Exchange of Au25(SR)18 - and Ag25(SR)18 - Clusters with Metal-Thiolate Complexes: Ab Initio Molecular Dynamics Simulation StudiesHengzhi Liu, Baoyu Huang, Youyuan Shao, et al.
Environmental Science & Technology|May 1, 2025
Unveiling the Differential Intensity of Fluorous Active Sites Toward Selective Polyfluoroalkyl Substance Removal: Insights into Adsorption and Desorption Trade-OffsJinjing Huang, Kaixing Fu, Hengzhi Liu, et al.
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