Calculation of the interfacial tension of the graphene-water interaction by molecular simulations

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface

(2018) Donatas Surblys et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of a solid/liquid surface tension: A methodological study

(2018) T. Dreher et al.   JOURNAL OF CHEMICAL PHYSICS

How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models?

(2018) Florent Goujon et al.   Journal of Chemical Theory and Computation

Test-area surface tension calculation of the graphene-methane interface: Fluctuations and commensurability

(2017) H. D. d’Oliveira et al.   JOURNAL OF CHEMICAL PHYSICS

Contact angles from Young’s equation in molecular dynamics simulations

(2017) Hao Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Direct Measurement of the Surface Energy of Graphene

(2017) Christian D. van Engers et al.   NANO LETTERS

Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface

(2016) Aziz Ghoufi et al.   CHEMICAL SOCIETY REVIEWS

Physics behind Water Transport through Nanoporous Boron Nitride and Graphene

(2016) Ludovic Garnier et al.   Journal of Physical Chemistry Letters

Physics of solid–liquid interfaces: From the Young equation to the superhydrophobicity (Review Article)

(2016) Edward Bormashenko   LOW TEMPERATURE PHYSICS

Superpermittivity of nanoconfined water

(2015) Richard Renou et al.   JOURNAL OF CHEMICAL PHYSICS

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method

(2015) Vikram Reddy Ardham et al.   JOURNAL OF CHEMICAL PHYSICS

Local pressure components and interfacial tension at a liquid-solid interface obtained by the perturbative method in the Lennard-Jones system

(2014) K. Fujiwara et al.   JOURNAL OF CHEMICAL PHYSICS

Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures

(2014) Gabriele Tocci et al.   NANO LETTERS

Observation of 4 nm Pitch Stripe Domains Formed by Exposing Graphene to Ambient Air

(2013) Daniel S. Wastl et al.   ACS Nano

Polarizability effects in molecular dynamics simulations of the graphene-water interface

(2013) Tuan A. Ho et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of the long-range corrections on the interfacial properties of molecular models using Monte Carlo simulation

(2013) J. M. Míguez et al.   JOURNAL OF CHEMICAL PHYSICS

Wetting Behavior of Water near Nonpolar Surfaces

(2013) Vaibhaw Kumar et al.   Journal of Physical Chemistry C

What Is the Contact Angle of Water on Graphene?

(2013) Fereshte Taherian et al.   LANGMUIR

Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models

(2013) Jean-Claude Neyt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets

(2012) Hui Li et al.   ACS Nano

Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route

(2012) A. Ghoufi et al.   JOURNAL OF CHEMICAL PHYSICS

A molecular dynamics study to determine the solid-liquid interfacial tension using test area simulation method (TASM)

(2012) Anjan R. Nair et al.   JOURNAL OF CHEMICAL PHYSICS

Layered Structures of Interfacial Water and Their Effects on Raman Spectra in Graphene-on-Sapphire Systems

(2012) Hiroki Komurasaki et al.   Journal of Physical Chemistry C

Water Desalination across Nanoporous Graphene

(2012) David Cohen-Tanugi et al.   NANO LETTERS

Wetting transparency of graphene

(2012) Javad Rafiee et al.   NATURE MATERIALS

Breakdown in the Wetting Transparency of Graphene

(2012) Chih-Jen Shih et al.   PHYSICAL REVIEW LETTERS

Atomic-Resolution Imaging of Graphite–Water Interface by Frequency Modulation Atomic Force Microscopy

(2011) Kazuhiro Suzuki et al.   Applied Physics Express

A Transferable Force Field To Predict Phase Equilibria and Surface Tension of Ethers and Glycol Ethers

(2011) Nicolas Ferrando et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Origin of line tension for a Lennard-Jones nanodroplet

(2011) Joost H. Weijs et al.   PHYSICS OF FLUIDS

Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method

(2010) Frédéric Leroy et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of interfacial properties using molecular simulation with the reaction field method: Results for different water models

(2010) J. M. Míguez et al.   JOURNAL OF CHEMICAL PHYSICS

Surface-Energy Engineering of Graphene

(2010) Young Jun Shin et al.   LANGMUIR

Numerical evidence of the formation of a thin microscopic film of methane at the water surface: a free energy calculation

(2010) Aziz Ghoufi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

(2009) Han Wang et al.   EUROPEAN PHYSICAL JOURNAL E

Molecular dynamics simulation of the contact angle of liquids on solid surfaces

(2009) Bo Shi et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs–Cahn integration

(2009) Brian B. Laird et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of the surface tension from Monte Carlo simulations: Does the model impact on the finite-size effects?

(2009) F. Biscay et al.   JOURNAL OF CHEMICAL PHYSICS

Surface tension of water and acid gases from Monte Carlo simulations

(2008) A. Ghoufi et al.   JOURNAL OF CHEMICAL PHYSICS

Calculating the surface tension between a flat solid and a liquid: a theoretical and computer simulation study of three topologically different methods

(2008) Uriel Octavio Moreles Vázquez et al.   JOURNAL OF MATHEMATICAL CHEMISTRY

Structure of water adsorbed on a single graphene sheet

(2008) M. C. Gordillo et al.   PHYSICAL REVIEW B