4.6 Article

Role of Long-Range Electrostatic Interactions and Local Topology of the Hydrogen Bond Network in the Wettability of Fully and Partially Wetted Single and Multilayer Graphene

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Biophysics

Redefining the concept of hydration water near soft interfaces

Fausto Martelli et al.

Summary: Water plays a crucial role in determining the properties of biological systems. Recent research has shown that phospholipid membranes impact water dynamics, structural properties, and hydrogen bond network at a distance of approximately 2.4 nm, which is more than twice the commonly accepted thickness of hydration water layer. This suggests that the concept of hydration water may need to be revised or expanded to deepen our understanding of the interactions between water and biological systems.

BIOINTERPHASES (2021)

Article Chemistry, Physical

Topology and complexity of the hydrogen bond network in classical models of water

Fausto Martelli

Summary: This study compares 11 popular non polarizable classical water models against their hydrogen bond network, introducing a network complexity index to quantify the deviation of network topology from the ground state. The study also establishes a link between the dynamical properties of different water models and the underlying topology of the hydrogen bond network.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Materials Science, Multidisciplinary

Calculation of the work of adhesion of polyisoprene on graphite by molecular dynamics simulations

M. Chiricotto et al.

SOFT MATERIALS (2020)

Article Nanoscience & Nanotechnology

Probing the network topology in network-forming materials: The case of water

Maud Formanek et al.

AIP ADVANCES (2020)

Article Chemistry, Multidisciplinary

Network Topology in Water Nanoconfined between Phospholipid Membranes

Fausto Martelli et al.

ACS NANO (2020)

Article Chemistry, Physical

Balance of Solvent and Chain Interactions Determines the Local Stress State of Simulated Membranes

Conner M. Winkeljohn et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

Article Chemistry, Physical

Calculation of the surface tension of water: 40 years of molecular simulations

Aziz Ghoufi et al.

MOLECULAR SIMULATION (2019)

Article Chemistry, Physical

Multiscale Simulation Method for Quantitative Prediction of Surface Wettability at the Atomistic Level

Suji Gim et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)

Article Chemistry, Multidisciplinary

Why Different Water Models Predict Different Structures Under 2D Confinement

James Dix et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)

Review Chemistry, Physical

Water confined in two-dimensions: Fundamentals and applications

Pantelis Bampoulis et al.

SURFACE SCIENCE REPORTS (2018)

Review Chemistry, Multidisciplinary

Are Graphitic Surfaces Hydrophobic?

Andrew Kozbial et al.

ACCOUNTS OF CHEMICAL RESEARCH (2016)

Article Chemistry, Multidisciplinary

On the Mechanism of Hydrophilicity of Graphene

Guo Hong et al.

NANO LETTERS (2016)

Article Chemistry, Multidisciplinary

Thickness-Dependent Hydrophobicity of Epitaxial Graphene

Martin Munz et al.

ACS NANO (2015)

Article Chemistry, Physical

Local structure analysis in ab initio liquid water

Biswajit Santra et al.

MOLECULAR PHYSICS (2015)

Article Chemistry, Multidisciplinary

Scalable Graphene Coatings for Enhanced Condensation Heat Transfer

Daniel J. Preston et al.

NANO LETTERS (2015)

Review Materials Science, Multidisciplinary

Wettability of graphene

David Parobek et al.

2D MATERIALS (2015)

Article Chemistry, Physical

Understanding the intrinsic water wettability of graphite

Andrew Kozbial et al.

CARBON (2014)

Article Chemistry, Physical

Importance of Force Decomposition for Local Stress Calculations in Biomembrane Molecular Simulations

Juan M. Vanegas et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Multidisciplinary

Study on the Surface Energy of Graphene by Contact Angle Measurements

Andrew Kozbial et al.

LANGMUIR (2014)

Article Chemistry, Physical

Molecular dynamics simulation of the graphene-water interface: comparing water models

Tuan A. Ho et al.

MOLECULAR SIMULATION (2014)

Article Multidisciplinary Sciences

Metastable liquid-liquid transition in a molecular model of water

Jeremy C. Palmer et al.

NATURE (2014)

Review Materials Science, Multidisciplinary

Graphene: a new emerging lubricant

Diana Berman et al.

MATERIALS TODAY (2014)

Article Chemistry, Physical

Graphitic Carbon-Water Nonbonded Interaction Parameters

Yanbin Wu et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2013)

Article Chemistry, Multidisciplinary

Measurement of Line Tension on Droplets in the Submicrometer Range

Lars-Oliver Heim et al.

LANGMUIR (2013)

Article Chemistry, Multidisciplinary

Wettability of Graphene

Rishi Raj et al.

NANO LETTERS (2013)

Editorial Material Chemistry, Physical

Wetting translucency of graphene

Chih-Jen Shih et al.

NATURE MATERIALS (2013)

Article Chemistry, Multidisciplinary

Water Desalination across Nanoporous Graphene

David Cohen-Tanugi et al.

NANO LETTERS (2012)

Article Chemistry, Physical

Wetting transparency of graphene

Javad Rafiee et al.

NATURE MATERIALS (2012)

Article Chemistry, Multidisciplinary

The Microscopic Structure of Adsorbed Water on Hydrophobic Surfaces under Ambient Conditions

Peigen Cao et al.

NANO LETTERS (2011)

Article Physics, Fluids & Plasmas

Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation

A. Ghoufi et al.

PHYSICAL REVIEW E (2011)

Article Chemistry, Physical

The surface tension of TIP4P/2005 water model using the Ewald sums for the dispersion interactions

Jose Alejandre et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Multidisciplinary

Surface-Energy Engineering of Graphene

Young Jun Shin et al.

LANGMUIR (2010)

Article Chemistry, Multidisciplinary

Wettability and Surface Free Energy of Graphene Films

Shiren Wang et al.

LANGMUIR (2009)

Article Materials Science, Multidisciplinary

Adsorption of H2O, NH3, CO, NO2, and NO on graphene:: A first-principles study

O. Leenaerts et al.

PHYSICAL REVIEW B (2008)

Article Physics, Fluids & Plasmas

Expressions for local contributions to the surface tension from the virial route

A. Ghoufi et al.

PHYSICAL REVIEW E (2008)

Article Chemistry, Physical

A general purpose model for the condensed phases of water: TIP4P/2005

JLF Abascal et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Review Chemistry, Multidisciplinary

GROMACS: Fast, flexible, and free

D Van der Spoel et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Chemistry, Physical

Water-carbon interactions III: The influence of surface and fluid impurities

JH Walther et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Some issues on the calculation of interfacial properties by molecular simulation

D Duque et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

On the water-carbon interaction for use in molecular dynamics simulations of graphite and carbon nanotubes

T Werder et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

Article Chemistry, Multidisciplinary

Molecular dynamics simulation of contact angles of water droplets in carbon nanotubes

T Werder et al.

NANO LETTERS (2001)