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Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study

Journal of physical chemistry. C, 2018-02, Vol.122 (4), p.2113-2121

2018

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Separation of Ethanol and Water Using Graphene and Hexagonal Boron Nitride Slit Pores: A Molecular Dynamics Study

Journal of physical chemistry. C, 2017-04, Vol.121 (14), p.7867-7880

2017

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Exploring the Anomalous Phase Behavior of High-Pressure Ices in Diamond Confinement

Journal of physical chemistry. C, 2020-03, Vol.124 (9), p.5460-5468

2020

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Vapor−Liquid Phase Coexistence, Critical Properties, and Surface Tension of Confined Alkanes

Journal of physical chemistry. C, 2009-04, Vol.113 (17), p.7170-7180

2009

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Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Journal of physical chemistry. C, 2018-07, Vol.122 (26), p.14654-14664

2018

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Salt-Water System under Diamond Confinement

Journal of physical chemistry. C, 2021-10, Vol.125 (40), p.22283-22294

2021

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Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface: Insights from All Atom Molecular Dynamics Simulations and Experiments

Journal of physical chemistry. C, 2019-05, Vol.123 (19), p.12276-12285

2019

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CO2 Adsorption on Charged Carbon Nanotube Arrays: A Possible Functional Material for Electric Swing Adsorption

Journal of physical chemistry. C, 2015-07

2015

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Wetting Transition of the Ethanol–Water Droplet on Smooth and Textured Surfaces

Journal of physical chemistry. C, 2014-02, Vol.118 (8), p.4113-4121

2014

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Nucleation of Aqueous Salt Solutions on Solid Surfaces

Journal of physical chemistry. C, 2018-04, Vol.122 (15), p.8277-8287

2018

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Ice Nucleation on a Graphite Surface in the Presence of Nanoparticles

Journal of physical chemistry. C, 2018-08, Vol.122 (33), p.19056-19066

2018

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Understanding Carbon Dioxide Adsorption in Carbon Nanotube Arrays: Molecular Simulation and Adsorption Measurements

Journal of physical chemistry. C, 2013-07, Vol.117 (26), p.13492-13501

2013

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Structure and Dynamics of n‑Alkanol Monolayers on a Mica Surface

Journal of physical chemistry. C, 2014-04, Vol.118 (13), p.6809-6819

2014

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Understanding the Adsorption Energetics of Growth Polymorphs of Ferrocene Derivatives: Microscopic Thermal Desorption Analysis

Journal of physical chemistry. C, 2019-08, Vol.123 (30), p.18488-18494

2019

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Phase Transitions of Water in Graphite and Mica Pores

Journal of physical chemistry. C, 2011-06, Vol.115 (25), p.12448-12457

2011

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Effect of Electric Field on Water Confined in Graphite and Mica Pores

Journal of physical chemistry. C, 2012-08, Vol.116 (33), p.17594-17603

2012

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Structure of Mixed Self-Assembled Monolayers on Gold Nanoparticles at Three Different Arrangements

Journal of physical chemistry. C, 2015-02, Vol.119 (6), p.3199-3209

2015

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Oscillatory Melting Temperature of Stockmayer Fluid in Slit Pores

Journal of physical chemistry. C, 2014-09, Vol.118 (36), p.20848-20857

2014

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Adsorption and Condensation of SO2 in Double-Walled Carbon Nanotube Arrays Studied by Monte Carlo Simulations and Simple Analytical Models

Journal of physical chemistry. C, 2016-04, Vol.120 (14), p.7510-7521

2016

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MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO2 to Hydrocarbon Fuels

Journal of physical chemistry. C, 2023-12, Vol.127 (51), p.24542-24551

2023

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MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO 2 to Hydrocarbon Fuels

Journal of physical chemistry. C, 2023-12, Vol.127 (51), p.24542-24551

2023

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Adsorption and Separation of N2/CH4/CO2/SO2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations

Journal of physical chemistry. C, 2017-06, Vol.121 (25), p.13457-13473

2017

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Tuning the Switching Probability of Azobenzene Derivatives on Graphite Surface through Chemical Functions

Journal of physical chemistry. C, 2023-08, Vol.127 (34), p.17039-17050

2023

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Surface Phase Transition of Associating Fluids on Functionalized Surfaces

Journal of physical chemistry. C, 2011-09, Vol.115 (36), p.17861-17869

2011

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Adsorption and Separation of N 2 /CH 4 /CO 2 /SO 2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations

Journal of physical chemistry. C, 2017-06, Vol.121 (25), p.13457-13473

2017

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Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study

Separation of Ethanol and Water Using Graphene and Hexagonal Boron Nitride Slit Pores: A Molecular Dynamics Study

Exploring the Anomalous Phase Behavior of High-Pressure Ices in Diamond Confinement

Vapor−Liquid Phase Coexistence, Critical Properties, and Surface Tension of Confined Alkanes

Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Salt-Water System under Diamond Confinement

Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface: Insights from All Atom Molecular Dynamics Simulations and Experiments

CO2 Adsorption on Charged Carbon Nanotube Arrays: A Possible Functional Material for Electric Swing Adsorption

Wetting Transition of the Ethanol–Water Droplet on Smooth and Textured Surfaces

Nucleation of Aqueous Salt Solutions on Solid Surfaces

Ice Nucleation on a Graphite Surface in the Presence of Nanoparticles

Understanding Carbon Dioxide Adsorption in Carbon Nanotube Arrays: Molecular Simulation and Adsorption Measurements

Structure and Dynamics of n‑Alkanol Monolayers on a Mica Surface

Understanding the Adsorption Energetics of Growth Polymorphs of Ferrocene Derivatives: Microscopic Thermal Desorption Analysis

Phase Transitions of Water in Graphite and Mica Pores

Effect of Electric Field on Water Confined in Graphite and Mica Pores

Structure of Mixed Self-Assembled Monolayers on Gold Nanoparticles at Three Different Arrangements

Oscillatory Melting Temperature of Stockmayer Fluid in Slit Pores

Adsorption and Condensation of SO2 in Double-Walled Carbon Nanotube Arrays Studied by Monte Carlo Simulations and Simple Analytical Models

MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO2 to Hydrocarbon Fuels

MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO 2 to Hydrocarbon Fuels

Adsorption and Separation of N2/CH4/CO2/SO2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations

Tuning the Switching Probability of Azobenzene Derivatives on Graphite Surface through Chemical Functions

Surface Phase Transition of Associating Fluids on Functionalized Surfaces

Adsorption and Separation of N 2 /CH 4 /CO 2 /SO 2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations

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