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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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Atomistic mechanism of cadmium incorporation into hydroxyapatite

The American mineralogist, 2022-04, Vol.107 (4), p.664-672

2022

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Mn substitution and distribution in goethite and influences on its photocatalytic properties: A combined study using first-principles calculations and photocatalytic experiments

The American mineralogist, 2023-05, Vol.108 (5), p.968-977

2023

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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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Mountain biodiversity and ecosystem functions: interplay between geology and contemporary environments

The ISME Journal, 2020-04, Vol.14 (4), p.931-944

2020

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Ecological networks of dissolved organic matter and microorganisms under global change

Nature communications, 2022-06, Vol.13 (1), p.3600-3600, Article 3600

2022

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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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Confined water in tunnel nanopores of sepiolite: Insights from molecular simulations

The American mineralogist, 2016-03, Vol.101 (3), p.713-718

2016

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Microbial Oxidation of Sulfide Tailings and the Environmental Consequences

Elements (Quebec), 2012-04, Vol.8 (2), p.119-124

2012

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Interstratification of graphene-like carbon layers within black talc from Southeastern China: Implications to sedimentary talc formation

The American mineralogist, 2016-07, Vol.101 (7), p.1668-1678

2016

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Hydration and Mobility of Interlayer Ions of (Na x , Ca y )‑Montmorillonite: A Molecular Dynamics Study

Journal of physical chemistry. C, 2014-12, Vol.118 (51), p.29811-29821

2014

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Ferric vs. ferrous arsenate amorphous precursors: properties and controls on scorodite mineralization

The American mineralogist, 2024-08

2024

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Thermodynamics of mixing in an isostructural solid solution: Simulation methodologies and application to the rutile-cassiterite system

The American mineralogist, 2016-05, Vol.101 (5), p.1197-1206

2016

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Vertical distribution of microplastics in the sediment profiles of the Lake Taihu, eastern China

Sustainable environment research, 2022-10, Vol.32 (1), p.1-13, Article 44

2022

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Atomistic simulation on mixing thermodynamics of calcite-smithsonite solid solutions

The American mineralogist, 2015-01, Vol.100 (1), p.172-180

2015

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Solution Structures and Acidity Constants of Molybdic Acid

The journal of physical chemistry letters, 2013-09, Vol.4 (17), p.2926-2930

2013

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A molecular simulation study of Cs-Cl and Cs-F ion pairs in hydrothermal fluids

Acta geochimica, 2022-06, Vol.41 (3), p.325-334

2022

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Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO4 Solution at 543 K

Geofluids, 2024-02, Vol.2024, p.1-14

2024

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An example of high- T , high-symmetry crystallization: Spherical (Mg,Fe)-oxides formed by particle attachment in the shocked martian meteorite Northwest Africa 7755

The American mineralogist, 2019-01, Vol.104 (1), p.150-157

2019

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Molecular dynamics insight into the cointercalation of hexadecyltrimethyl-ammonium and acetate ions into smectites

The American mineralogist, 2009-01, Vol.94 (1), p.143-150

2009

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Molecular simulation study on K^＋-Cl^- ion pair in geological fluids

Acta geochimica, 2017-03, Vol.36 (1), p.1-8

2017

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Retardation of Water Reorientation at the Oil/Water Interface

Journal of physical chemistry. C, 2015-07, Vol.119 (29), p.16639-16648

2015

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Interlayer Structure and Dynamics of HDTMA+-Intercalated Rectorite with and without Water: A Molecular Dynamics Study

Journal of physical chemistry. C, 2012-06, Vol.116 (24), p.13071-13078

2012

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Microbial oxidation of metal sulfides and its consequences

Acta Petrologica Sinica, 2019, Vol.35 (1), p.153-163

2019

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

Atomistic mechanism of cadmium incorporation into hydroxyapatite

Mn substitution and distribution in goethite and influences on its photocatalytic properties: A combined study using first-principles calculations and photocatalytic experiments

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

Mountain biodiversity and ecosystem functions: interplay between geology and contemporary environments

Ecological networks of dissolved organic matter and microorganisms under global change

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

Confined water in tunnel nanopores of sepiolite: Insights from molecular simulations

Microbial Oxidation of Sulfide Tailings and the Environmental Consequences

Interstratification of graphene-like carbon layers within black talc from Southeastern China: Implications to sedimentary talc formation

Hydration and Mobility of Interlayer Ions of (Na x , Ca y )‑Montmorillonite: A Molecular Dynamics Study

Ferric vs. ferrous arsenate amorphous precursors: properties and controls on scorodite mineralization

Thermodynamics of mixing in an isostructural solid solution: Simulation methodologies and application to the rutile-cassiterite system

Vertical distribution of microplastics in the sediment profiles of the Lake Taihu, eastern China

Atomistic simulation on mixing thermodynamics of calcite-smithsonite solid solutions

Solution Structures and Acidity Constants of Molybdic Acid

A molecular simulation study of Cs-Cl and Cs-F ion pairs in hydrothermal fluids

Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO4 Solution at 543 K

An example of high- T , high-symmetry crystallization: Spherical (Mg,Fe)-oxides formed by particle attachment in the shocked martian meteorite Northwest Africa 7755

Molecular dynamics insight into the cointercalation of hexadecyltrimethyl-ammonium and acetate ions into smectites

Molecular simulation study on K^＋-Cl^- ion pair in geological fluids

Retardation of Water Reorientation at the Oil/Water Interface

Interlayer Structure and Dynamics of HDTMA+-Intercalated Rectorite with and without Water: A Molecular Dynamics Study

Microbial oxidation of metal sulfides and its consequences

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