Wetting translucency of graphene
|
journal
|
September 2013 |
Quantitative Modeling of MoS 2 –Solvent Interfaces: Predicting Contact Angles and Exfoliation Performance using Molecular Dynamics
|
journal
|
March 2017 |
Dominance of Dispersion Interactions and Entropy over Electrostatics in Determining the Wettability and Friction of Two-Dimensional MoS 2 Surfaces
|
journal
|
September 2016 |
Understanding the colloidal dispersion stability of 1D and 2D materials: Perspectives from molecular simulations and theoretical modeling
|
journal
|
June 2017 |
Porous boron nitride nanosheets for effective water cleaning
|
journal
|
April 2013 |
Rational Design and Strain Engineering of Nanoporous Boron Nitride Nanosheet Membranes for Water Desalination
|
journal
|
September 2017 |
High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material
|
journal
|
June 2018 |
Giant osmotic energy conversion measured in a single transmembrane boron nitride nanotube
|
journal
|
February 2013 |
Massive radius-dependent flow slippage in carbon nanotubes
|
journal
|
September 2016 |
Fast water transport in graphene nanofluidic channels
|
journal
|
January 2018 |
Electric Field Effect in Atomically Thin Carbon Films
|
journal
|
October 2004 |
The rise of graphene
|
journal
|
March 2007 |
Boron Nitride Nanotubes and Nanosheets
|
journal
|
May 2010 |
Effect of airborne contaminants on the wettability of supported graphene and graphite
|
journal
|
July 2013 |
Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures
|
journal
|
November 2014 |
Contact angle and surface tension of water on a hexagonal boron nitride monolayer: a methodological investigation
|
journal
|
July 2018 |
Ab Initio Molecular Dynamics and Lattice Dynamics-Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications
|
journal
|
March 2018 |
Boundary slip in Newtonian liquids: a review of experimental studies
|
journal
|
October 2005 |
How fast does water flow in carbon nanotubes?
|
journal
|
March 2013 |
Molecular Origin of Fast Water Transport in Carbon Nanotube Membranes: Superlubricity versus Curvature Dependent Friction
|
journal
|
October 2010 |
Ultralow Liquid/Solid Friction in Carbon Nanotubes: Comprehensive Theory for Alcohols, Alkanes, OMCTS, and Water
|
journal
|
September 2012 |
Multiphase water flow inside carbon nanotubes
|
journal
|
July 2004 |
Reassessing Fast Water Transport Through Carbon Nanotubes
|
journal
|
September 2008 |
Why Are Carbon Nanotubes Fast Transporters of Water?
|
journal
|
February 2008 |
Liquid water can slip on a hydrophilic surface
|
journal
|
September 2011 |
Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes
|
journal
|
May 2006 |
Enhanced flow in carbon nanotubes
|
journal
|
November 2005 |
Electrophoretically induced aqueous flow through single-walled carbon nanotube membranes
|
journal
|
January 2012 |
Influence of wetting properties on hydrodynamic boundary conditions at a fluid/solid interface
|
journal
|
January 1999 |
Understanding the intrinsic water wettability of graphite
|
journal
|
August 2014 |
Understanding the Intrinsic Water Wettability of Molybdenum Disulfide (MoS 2 )
|
journal
|
July 2015 |
Wettability of Supported Monolayer Hexagonal Boron Nitride in Air
|
journal
|
September 2016 |
Preparation of transparent BN films with superhydrophobic surface
|
journal
|
June 2008 |
Boron Nitride Nanosheet Coatings with Controllable Water Repellency
|
journal
|
July 2011 |
Preparation and Properties of Thin Film Boron Nitride
|
journal
|
January 1968 |
Measurement of Wetting Properties of Individual Boron Nitride Nanotubes with the Wilhelmy Method Using a Nanotube-Based Force Sensor
|
journal
|
February 2006 |
Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets
|
journal
|
February 2012 |
Efficient estimation of free energy differences from Monte Carlo data
|
journal
|
October 1976 |
Parametrizing Nonbonded Interactions from Wetting Experiments via the Work of Adhesion: Example of Water on Graphene Surfaces
|
journal
|
December 2015 |
Insights on the Role of Many-Body Polarization Effects in the Wetting of Graphitic Surfaces by Water
|
journal
|
December 2017 |
Surface tension of ab initio liquid water at the water-air interface
|
journal
|
May 2016 |
An automated drop shape apparatus and the surface tension of pure water
|
journal
|
January 1990 |
Hexagonal boron nitride and water interaction parameters
|
journal
|
April 2016 |
Comparison of simple potential functions for simulating liquid water
|
journal
|
July 1983 |
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo
|
journal
|
May 2015 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
|
journal
|
March 1995 |
A unified formulation of the constant temperature molecular dynamics methods
|
journal
|
July 1984 |
Canonical dynamics: Equilibrium phase-space distributions
|
journal
|
March 1985 |
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
|
journal
|
March 1977 |
A potential model for the study of ices and amorphous water: TIP4P/Ice
|
journal
|
June 2005 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
|
journal
|
January 1996 |
An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
|
journal
|
October 2011 |
High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases
|
journal
|
August 1954 |
The Statistical Mechanical Theory of Surface Tension
|
journal
|
March 1949 |
The missing term in effective pair potentials
|
journal
|
November 1987 |
Generalized Gradient Approximation Made Simple
|
journal
|
October 1996 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
|
journal
|
April 2010 |
Surface tension of the most popular models of water by using the test-area simulation method
|
journal
|
April 2007 |
Contact angles on hydrophobic solid surfaces and their interpretation
|
journal
|
January 1992 |
Self-Consistent Equations Including Exchange and Correlation Effects
|
journal
|
November 1965 |
Inhomogeneous Electron Gas
|
journal
|
November 1964 |
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
|
journal
|
September 2012 |
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications
|
journal
|
March 2017 |
The interaction between hexagonal boron nitride and water from first principles
|
journal
|
June 2015 |
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
|
journal
|
April 2005 |
cp2k: atomistic simulations of condensed matter systems
- Hutter, Jürg; Iannuzzi, Marcella; Schiffmann, Florian
-
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Issue 1
https://doi.org/10.1002/wcms.1159
|
journal
|
June 2013 |
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
|
journal
|
September 2007 |
Separable dual-space Gaussian pseudopotentials
|
journal
|
July 1996 |
Nonlocal van der Waals density functional: The simpler the better
|
journal
|
December 2010 |
Chemical accuracy for the van der Waals density functional
|
journal
|
December 2009 |
Van der Waals Density Functional for General Geometries
|
journal
|
June 2004 |
Higher-accuracy van der Waals density functional
|
journal
|
August 2010 |
Validity of current force fields for simulations on boron nitride nanotubes
|
journal
|
January 2010 |
A general purpose model for the condensed phases of water: TIP4P/2005
|
journal
|
December 2005 |
Fast diffusion of water nanodroplets on graphene
|
journal
|
October 2015 |
Water transport inside carbon nanotubes mediated by phonon-induced oscillating friction
|
journal
|
July 2015 |
Water Slippage versus Contact Angle: A Quasiuniversal Relationship
|
journal
|
November 2008 |
On the Green-Kubo relationship for the liquid-solid friction coefficient
|
journal
|
July 2013 |
Dipole-Dependent Slip of Newtonian Liquids at Smooth Solid Hydrophobic Surfaces
|
journal
|
April 2004 |
How Electrostatics Influences Hydrodynamic Boundary Conditions: Poiseuille and Electro-osmostic Flows in Clay Nanopores.
|
journal
|
January 2013 |
Effects of Electrostatic Interaction and Chirality on the Friction Coefficient of Water Flow Inside Single-Walled Carbon Nanotubes and Boron Nitride Nanotubes
|
journal
|
January 2018 |
How strongly do hydrogen and water molecules stick to carbon nanomaterials?
|
journal
|
March 2017 |
XSEDE: Accelerating Scientific Discovery
|
journal
|
September 2014 |