Pengyuan Gao
6PUBLICATIONS
6CO-AUTHORS
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Publications (6)
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|Feb 24, 2026
An accurate and efficient framework for modeling multimetal competitive adsorption on clay minerals.Pengyuan Gao, Xiandong Liu, Xiancai Lu
|Dec 23, 2024
Uranyl Speciation in Carbonate-Rich Hydrothermal Solutions: A Molecular Dynamics Study.Xi Zhang, Xiandong Liu, Yingchun Zhang
|Dec 10, 2024
Bridging the Gap between Molecular Simulations and Surface Complexation Modeling for Heterogeneous Surfaces: A Case Study with Uranium and Arsenic Adsorption on Clay Minerals.Pengyuan Gao, Xiandong Liu, Zhijun Guo
|Jan 16, 2024
Structures of multinuclear U(VI) species on the hydroxylated α-SiO2(001) surface: insights from DFT calculations.Pengyuan Gao, Qiang Jin, Zongyuan Chen
|Dec 08, 2023
New asymmetric tetradentate phenanthroline chelators with pyrazole and amide groups for complexation and solvent extraction of Ln(III)/Am(III).Haolong Wang, Pengyuan Gao, Tengfei Cui
|Jan 10, 2023
Acid-Base Properties of Cis-Vacant Montmorillonite Edge Surfaces: A Combined First-Principles Molecular Dynamics and Surface Complexation Modeling Approach.Pengyuan Gao, Xiandong Liu, Zhijun Guo
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