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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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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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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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Molecular Dynamics Simulation of the Effects of NaCl on Electrostatic Properties of Newton Black Films

Journal of physical chemistry. C, 2012-10, Vol.116 (41), p.21913-21922

2012

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Structures and transport properties of supercritical SiO2-H2O and NaAlSi3O8-H2O fluids

The American mineralogist, 2023-10, Vol.108 (10), p.1871-1880

2023

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Acidity and metal complexation of edge surface of birnessite-type MnO2: Insight from first principles simulations

The Journal of chemical physics, 2022-12, Vol.157 (22), p.224703-224703

2022

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Thermoelastic Properties of Aluminous Phases in MORB From First‐Principle Calculation: Implications for Earth's Lower Mantle

Journal of geophysical research. Solid earth, 2018-12, Vol.123 (12), p.10,583-10,596

2018

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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

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

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

Molecular Dynamics Simulation of the Effects of NaCl on Electrostatic Properties of Newton Black Films

Structures and transport properties of supercritical SiO2-H2O and NaAlSi3O8-H2O fluids

Acidity and metal complexation of edge surface of birnessite-type MnO2: Insight from first principles simulations

Thermoelastic Properties of Aluminous Phases in MORB From First‐Principle Calculation: Implications for Earth's Lower Mantle

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