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Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations

The American mineralogist, 2021-11, Vol.106 (11), p.1736-1743

2021

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Nucleation of Th-rich cerianite on halloysite surface in a regolith-hosted rare earth elements deposit in South China

The American mineralogist, 2023-04, Vol.108 (4), p.769-774

2023

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Acidity of edge surface sites of montmorillonite and kaolinite

Geochimica et cosmochimica acta, 2013-09, Vol.117, p.180-190

2013

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Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics

Accounts of chemical research, 2014-12, Vol.47 (12), p.3522-3529

2014

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A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.110-125

2020

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Noble gas (He, Ne, and Ar) solubilities in high-pressure silicate melts calculated based on deep-potential modeling

Geochimica et cosmochimica acta, 2023-06, Vol.350, p.57-68

2023

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Mechanistic understanding of dehydroxylation reaction of smectites: Insights from reactive force field (ReaxFF) molecular dynamics simulation

The American mineralogist, 2024-08

2024

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Interfacial structure and acidity of orthoclase (001) surface: understanding the effect of surface metal cation

The American mineralogist, 2024-07

2024

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Surface acidity of 2:1-type dioctahedral clay minerals from first principles molecular dynamics simulations

Geochimica et cosmochimica acta, 2014-09, Vol.140, p.410-417

2014

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Partitioning of noble gases (He, Ne, Ar, Kr, Xe) during Earth’s core segregation: A possible core reservoir for primordial noble gases

Geochimica et cosmochimica acta, 2022-03, Vol.321, p.329-342

2022

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Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)

Geochimica et cosmochimica acta, 2017-04, Vol.203, p.54-68

2017

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Molecular dynamics simulation of alkylammonium-intercalated vermiculites

Clays and clay minerals, 2017-12, Vol.65 (6), p.378-386

2017

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Cadmium(II) complexes adsorbed on clay edge surfaces; insight from first principles molecular dynamics simulation

Clays and clay minerals, 2016-08, Vol.64 (4), p.337-347

2016

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A molecular dynamics study of Li speciation in hydrothermal fluids and silicate melts

Chemical geology, 2021-12, Vol.584, p.120528, Article 120528

2021

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Understanding surface acidity of gibbsite with first principles molecular dynamics simulations

Geochimica et cosmochimica acta, 2013-11, Vol.120, p.487-495

2013

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Lithium partition and isotopic fractionation for cation exchange in clay: Insights from molecular simulations

Geochimica et cosmochimica acta, 2023-10, Vol.358, p.148-161

2023

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Interfacial structures and acidity of edge surfaces of ferruginous smectites

Geochimica et cosmochimica acta, 2015-11, Vol.168, p.293-301

2015

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Sn(II) chloride speciation and equilibrium Sn isotope fractionation under hydrothermal conditions: A first principles study

Geochimica et cosmochimica acta, 2021-05, Vol.300, p.25-43

2021

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Preface to Multiscale Simulation in Geochemistry

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.1-4

2020

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Construction of road roughness in left and right wheel paths based on PSD and coherence function

Mechanical systems and signal processing, 2015-08, Vol.60-61, p.668-677

2015

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Inhibition of EZH2 prevents acute respiratory distress syndrome (ARDS)-associated pulmonary fibrosis by regulating the macrophage polarization phenotype

Respiratory research, 2021-07, Vol.22 (1), p.1-194, Article 194

2021

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Surface acidity of quartz: understanding the crystallographic control

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (48), p.2699-26916

2014

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Aligning Electronic and Protonic Energy Levels of Proton-Coupled Electron Transfer in Water Oxidation on Aqueous TiO2

Angewandte Chemie International Edition, 2014-11, Vol.53 (45), p.12046-12050

International ed. in English, 2014

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Complexation of heavy metal cations on clay edges at elevated temperatures

Chemical geology, 2018-02, Vol.479, p.36-46

2018

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An atomic-scale understanding of the initial stage of nucleation of heavy metal cations on clay edges

Geochimica et cosmochimica acta, 2019-03, Vol.248, p.161-171

2019

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Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations

Nucleation of Th-rich cerianite on halloysite surface in a regolith-hosted rare earth elements deposit in South China

Acidity of edge surface sites of montmorillonite and kaolinite

Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics

A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions

Noble gas (He, Ne, and Ar) solubilities in high-pressure silicate melts calculated based on deep-potential modeling

Mechanistic understanding of dehydroxylation reaction of smectites: Insights from reactive force field (ReaxFF) molecular dynamics simulation

Interfacial structure and acidity of orthoclase (001) surface: understanding the effect of surface metal cation

Surface acidity of 2:1-type dioctahedral clay minerals from first principles molecular dynamics simulations

Partitioning of noble gases (He, Ne, Ar, Kr, Xe) during Earth’s core segregation: A possible core reservoir for primordial noble gases

Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)

Molecular dynamics simulation of alkylammonium-intercalated vermiculites

Cadmium(II) complexes adsorbed on clay edge surfaces; insight from first principles molecular dynamics simulation

A molecular dynamics study of Li speciation in hydrothermal fluids and silicate melts

Understanding surface acidity of gibbsite with first principles molecular dynamics simulations

Lithium partition and isotopic fractionation for cation exchange in clay: Insights from molecular simulations

Interfacial structures and acidity of edge surfaces of ferruginous smectites

Sn(II) chloride speciation and equilibrium Sn isotope fractionation under hydrothermal conditions: A first principles study

Preface to Multiscale Simulation in Geochemistry

Construction of road roughness in left and right wheel paths based on PSD and coherence function

Inhibition of EZH2 prevents acute respiratory distress syndrome (ARDS)-associated pulmonary fibrosis by regulating the macrophage polarization phenotype

Surface acidity of quartz: understanding the crystallographic control

Aligning Electronic and Protonic Energy Levels of Proton-Coupled Electron Transfer in Water Oxidation on Aqueous TiO2

Complexation of heavy metal cations on clay edges at elevated temperatures

An atomic-scale understanding of the initial stage of nucleation of heavy metal cations on clay edges

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