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Carbon Nanotubes in Water: Structural Characteristics and Energetics

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Comparison of rigid and flexible simple point charge water models at supercritical conditions

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Template Assembly of Metal Aggregates by Imino-Carboxylate Ligands

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Wetting of Single Shell Carbon Nanotubes

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Dissolution of Single-Walled Carbon Nanotubes

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Wet-Chemical Synthesis of Doped Colloidal Nanomaterials: Particles and Fibers of LaPO4:Eu, LaPO4:Ce, and LaPO4:Ce,Tb

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Polarizable water at a hydrophobic wall

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Handbook of chemistry and physics

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Hydrogen bond structure of liquid water confined in nanotubes

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Experimental observation of individual single-wall nanotube species by Raman microscopy

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Scattering of water from graphite: simulations and experiments

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Erratum to “Scattering of water from graphite: simulations and experiments”

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Tapping mode scanning force microscopy in water using a carbon nanotube probe

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Critical point and coexistence curve for a flexible, simple point-charge water model

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Molecular Modeling of Adsorptive Energy Storage: Hydrogen Storage in Single-Walled Carbon Nanotubes

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Molecular Dynamics of Supercritical Water Using a Flexible SPC Model

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Application of a universal force field to organic molecules

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Local Solvation Shell Measurement in Water Using a Carbon Nanotube Probe

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Temperature Dependence of Hydrogen Bonding in Supercritical Water

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Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution

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Physisorption of Hydrogen on Microporous Carbon and Carbon Nanotubes

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Solvation of Fluorinated Single-Wall Carbon Nanotubes in Alcohol Solvents

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The electrostatic field at a graphite surface and its effect on molecule-solid interactions

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Interactions of diatomic molecules with graphite

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Diffraction-like effects in NMR diffusion studies of fluids in porous solids

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Experimental determination of the atomic quadrupole moment of graphite

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Thermodynamics of the curvature effect on ice surface tension and nucleation theory

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The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions

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A molecular dynamics simulation of a water model with intramolecular degrees of freedom

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Properties of flexible water models

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Water adsorption in microporous graphitic carbons

inferredcites →https://doi.org/10.1080/00268979909482914openalex-snapshot

Adsorption of water—methanol mixtures in carbon and aluminosilicate pores: a molecular simulation study

inferredcites →https://doi.org/10.1088/0957-4484/7/3/012openalex-snapshot

Dynamics of fluid flow inside carbon nanotubes

inferredcites →https://doi.org/10.1103/physrevb.51.2515openalex-snapshot

Molecular-dynamics study of the dynamical excitations in commensurate monolayer films of nitrogen molecules on graphite: A test of the corrugation in the nitrogen-graphite potential

inferredcites →https://doi.org/10.1103/physrevb.57.4145openalex-snapshot

Raman intensity of single-wall carbon nanotubes

inferredcites →https://doi.org/10.1103/physrevb.58.r8869openalex-snapshot

First-principles calculations of the radial breathing mode of single-wall carbon nanotubes

inferredcites →https://doi.org/10.1103/physrevb.59.12678openalex-snapshot

Ab initiostructural, elastic, and vibrational properties of carbon nanotubes

inferredcites →https://doi.org/10.1103/physrevb.60.6535openalex-snapshot

Vibrational modes of carbon nanotubes and nanoropes

inferredcites →https://doi.org/10.1126/science.265.5180.1850openalex-snapshot

Capillarity and Wetting of Carbon Nanotubes

inferredcites →https://doi.org/10.1126/science.275.5297.191openalex-snapshot

The Kinetic Significance of V 5+ in n -Butane Oxidation Catalyzed by Vanadium Phosphates

inferredcites →https://doi.org/10.1126/science.280.5367.1256openalex-snapshot

Cloned Transgenic Calves Produced from Nonquiescent Fetal Fibroblasts

inferredcites →https://doi.org/10.1126/science.282.5386.98openalex-snapshot

Ammonia Synthesis at Atmospheric Pressure

inferredcites →https://doi.org/10.1126/science.7522344openalex-snapshot

Two Identical Noninteracting Sites in an Ion Channel Revealed by Proton Transfer

inferredcites →https://doi.org/10.1201/b17118openalex-snapshot

CRC Handbook of Chemistry and Physics

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Encyclopedia of Chemical Technology

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study

inferred← citeshttps://doi.org/10.1016/j.fluid.2013.12.005openalex-snapshot

Temperature dependence and the effect of charge configuration on water permeation through modified carbon nanotubes: A simulation study

inferred← citeshttps://doi.org/10.1016/j.ijheatmasstransfer.2012.11.013openalex-snapshot

Thermal conductivity enhancement of paraffins by increasing the alignment of molecules through adding CNT/graphene

inferred← citeshttps://doi.org/10.1016/j.ijheatmasstransfer.2013.01.082openalex-snapshot

Numerical modeling of a CNT–Cu coaxial nanowire in a vacuum to determine the thermal conductivity

inferred← citeshttps://doi.org/10.1016/j.ijheatmasstransfer.2014.08.024openalex-snapshot

Interfacial thermal resistance of Cu–SWCNT nanowire in water

inferred← citeshttps://doi.org/10.1016/j.ijheatmasstransfer.2019.118925openalex-snapshot

Thermophoresis of nanoparticles in liquids

inferred← citeshttps://doi.org/10.1016/j.ijhydene.2016.05.300openalex-snapshot

Nanoindentation analysis of 3D-pillared carbon nanostructures used for hydrogen storage

inferred← citeshttps://doi.org/10.1016/j.ijmultiphaseflow.2004.03.009openalex-snapshot

Multiphase water flow inside carbon nanotubes

inferred← citeshttps://doi.org/10.1016/j.ijsolstr.2006.02.009openalex-snapshot

Analytical and numerical techniques to predict carbon nanotubes properties

inferred← citeshttps://doi.org/10.1016/j.ijthermalsci.2015.07.020openalex-snapshot

Effect of solvent on specific heat capacity enhancement of binary molten salt-based carbon nanotube nanomaterials for thermal energy storage

inferred← citeshttps://doi.org/10.1016/j.jcis.2006.03.012openalex-snapshot

Stability of the aqueous suspensions of nanotubes in the presence of nonionic surfactant

inferred← citeshttps://doi.org/10.1016/j.jcis.2011.05.021openalex-snapshot

A molecular simulation of interactions between graphene nanosheets and supercritical CO2

inferred← citeshttps://doi.org/10.1016/j.jcou.2019.03.005openalex-snapshot

Adsorption of CO2 gas on graphene–polymer composites

inferred← citeshttps://doi.org/10.1016/j.jcp.2004.11.019openalex-snapshot

Hybrid atomistic–continuum method for the simulation of dense fluid flows

inferred← citeshttps://doi.org/10.1016/j.jmgm.2012.05.009openalex-snapshot

Phase transition study of confined water molecules inside carbon nanotubes: Hierarchical multiscale method from molecular dynamics simulation to ab initio calculation

inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.04.012openalex-snapshot

Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in water

inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.09.012openalex-snapshot

Stepwise design of non-covalent wrapping of large diameter carbon nanotubes by peptides

inferred← citeshttps://doi.org/10.1016/j.jmgm.2018.12.009openalex-snapshot

Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: A scrutinized study by using molecular dynamics simulation and quantum mechanics calculation

inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107745openalex-snapshot

Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application: A molecular dynamic study

inferred← citeshttps://doi.org/10.1016/j.jmgm.2021.108059openalex-snapshot

Efficient water desalination through mono and bilayer carbon nitride nanosheet membranes: Insights from molecular dynamics simulation

inferred← citeshttps://doi.org/10.1016/j.jnoncrysol.2007.03.042openalex-snapshot

Interaction induced absorption of rare gas mixtures physisorbed on nanotubes and fullerenes – Computer simulation study

inferred← citeshttps://doi.org/10.1016/j.jnoncrysol.2008.06.042openalex-snapshot

Dielectric relaxation of water clusters encapsulated in carbon nanotubes – Computer simulation study

inferred← citeshttps://doi.org/10.1016/j.jpcs.2012.06.014openalex-snapshot

Buckling analysis of carbon nanotube bundles under axial compressive, bending and torsional loadings via a structural mechanics model

inferred← citeshttps://doi.org/10.1016/j.marger.2026.207669openalex-snapshot

Quantitative characterization and experimental methods of fluid phase behavior within shale reservoirs under nanoscale confinement effect: A critical review

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2011.06.016openalex-snapshot

Simulated strength and structure of carbon–carbon reinforced composite

inferred← citeshttps://doi.org/10.1016/j.matlet.2004.10.079openalex-snapshot

Investigation of non-covalent association of single-walled carbon nanotube with amylose by molecular dynamics simulation

inferred← citeshttps://doi.org/10.1016/j.micromeso.2023.112886openalex-snapshot

Understanding silica aerogel-carbon nanotube composite structures by molecular simulation

inferred← citeshttps://doi.org/10.1016/j.molcatb.2008.04.011openalex-snapshot

Encapsulation of lactate dehydrogenase in carbon nanotube doped alginate–chitosan capsules

inferred← citeshttps://doi.org/10.1016/j.molliq.2013.09.015openalex-snapshot

A molecular dynamics study on the effect of thermostat selection on the physical behavior of water molecules inside single walled carbon nanotubes

inferred← citeshttps://doi.org/10.1016/j.molliq.2014.06.003openalex-snapshot

Molecular dynamics simulations of water on a hydrophilic silica surface at high air pressures

inferred← citeshttps://doi.org/10.1016/j.molliq.2017.10.037openalex-snapshot

Line tensions of galena (001) and sphalerite (110) surfaces: A molecular dynamics study

inferred← citeshttps://doi.org/10.1016/j.molliq.2018.04.097openalex-snapshot

Molecular dynamics study on the configuration and arrangement of doxorubicin in carbon nanotubes

inferred← citeshttps://doi.org/10.1016/j.molliq.2021.118017openalex-snapshot

Investigation of the wettability of chemically heterogeneous smooth and rough surfaces using molecular dynamics simulation

inferred← citeshttps://doi.org/10.1016/j.molliq.2022.119789openalex-snapshot

Doxorubicin and Imatinib co-drug delivery using non-covalently functionalized carbon nanotube: Molecular dynamics study

inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124009openalex-snapshot

Investigating the properties of the water−vapor and water−graphite interfaces by PC-SAFT based density functional theory: A comparative study of different association functionals and PC-SAFT water parameter sets

inferred← citeshttps://doi.org/10.1016/j.molstruc.2004.12.049openalex-snapshot

Interaction induced depolarized light scattering from ultrathin Ne film covering single-walled carbon nanotubes of different chiralities

inferred← citeshttps://doi.org/10.1016/j.msea.2005.05.107openalex-snapshot

Molecular dynamics simulation of barnacle cement

inferred← citeshttps://doi.org/10.1016/j.physb.2006.05.065openalex-snapshot

Anomalously soft dynamics of water in carbon nanotubes

inferred← citeshttps://doi.org/10.1016/j.physe.2010.08.014openalex-snapshot

Molecular dynamics simulations of functionalized carbon nanotubes in water: Effects of type and position of functional groups

inferred← citeshttps://doi.org/10.1016/j.physe.2012.11.002openalex-snapshot

Influence of Stone–Wales defects on elastic properties of graphene nanofilms

inferred← citeshttps://doi.org/10.1016/j.physe.2016.03.021openalex-snapshot

Molecular dynamics simulation on adsorption of pyrene-polyethylene onto ultrathin single-walled carbon nanotube

inferred← citeshttps://doi.org/10.1016/j.physleta.2015.03.001openalex-snapshot

Influence of liquid environment and bounding wall structure on fluid flow through carbon nanotubes

inferred← citeshttps://doi.org/10.1016/j.physleta.2016.01.053openalex-snapshot

Nonpolar and polar fluid flow through flat nanochannels with amorphous and crystalline walls

inferred← citeshttps://doi.org/10.1016/j.physleta.2016.03.015openalex-snapshot

Interfacial water thickness at inorganic nanoconstructs and biomolecules: Size matters

inferred← citeshttps://doi.org/10.1016/j.physleta.2019.126181openalex-snapshot

Couette flows between various bounding substrates

inferred← citeshttps://doi.org/10.1016/j.pmatsci.2020.100717openalex-snapshot

Carbon-based electrocatalysts for sustainable energy applications

inferred← citeshttps://doi.org/10.1016/j.polymertesting.2019.02.032openalex-snapshot

A new model to simulate the creep behavior of graphene/epoxy nanocomposites

inferred← citeshttps://doi.org/10.1016/j.rser.2014.08.087openalex-snapshot

Thermal transmittance of carbon nanotube networks: Guidelines for novel thermal storage systems and polymeric material of thermal interest

inferred← citeshttps://doi.org/10.1016/j.seppur.2022.120770openalex-snapshot

The performance of a C2N membrane for heavy metal ions removal from water under external electric field

inferred← citeshttps://doi.org/10.1016/j.stam.2003.10.011openalex-snapshot

Molecular dynamics study of Ar flow and He flow inside carbon nanotube junction as a molecular nozzle and diffuser

inferred← citeshttps://doi.org/10.1016/j.susc.2017.09.004openalex-snapshot

Effects of microwave electric fields on the translational diffusion of dipolar molecules in surface potential: A simulation study

inferred← citeshttps://doi.org/10.1016/j.theochem.2009.07.018openalex-snapshot

Binding free energy calculation of peptides to carbon nanotubes using molecular dynamics with a linear interaction energy approach

inferred← citeshttps://doi.org/10.1016/j.triboint.2019.106153openalex-snapshot

Friction properties of carbon nanoparticles (nanodiamond and nanoscroll) confined between DLC and a-SiO2 surfaces

inferred← citeshttps://doi.org/10.1016/j.xcrp.2024.102297openalex-snapshot

Hierarchical AlN/erythritol composite phase change materials with ultra-efficient polarity-enhanced heat conduction

inferred← citeshttps://doi.org/10.1016/s0009-2614(02)01476-8openalex-snapshot

Cluster-mediated filling of water vapor in intratube and interstitial nanospaces of single-wall carbon nanohorns

inferred← citeshttps://doi.org/10.1016/s0894-9166(11)60002-5openalex-snapshot

Mechanics of carbon nanoscrolls: a review

inferred← citeshttps://doi.org/10.1016/s1359-0294(02)00045-6openalex-snapshot

Nanoparticle interactions with polymers and polyelectrolytes

inferred← citeshttps://doi.org/10.1017/s0033583515000256openalex-snapshot

Modeling and simulation of protein–surface interactions: achievements and challenges

inferred← citeshttps://doi.org/10.1017/s1431927613000469openalex-snapshot

Dynamics of Carbon Nanotube Tipped Atomic Force Microscopy in Liquid

inferred← citeshttps://doi.org/10.1021/acs.jced.7b00186openalex-snapshot

Curious Characteristics of Polar and Nonpolar Molecules Confined within Carbon Nanotubes (CNT) of Varied Diameter: Insights from Molecular Dynamics Simulation

inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00073openalex-snapshot

Multilevel Molecular Modeling Approach for a Rational Design of Ionic Current Sensors for Nanofluidics

inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c06617openalex-snapshot

Efficient Removal of Heavy Metals from Aqueous Solutions through Functionalized γ-Graphyne-1 Membranes under External Uniform Electric Fields: Insights from Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b05663openalex-snapshot

Probing Thermal Conductivity of Fullerene C60 Hosting a Single Water Molecule

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b09082openalex-snapshot

Significance of Bundling Effects on Carbon Nanotubes’ Response to Hydrostatic Compression

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b06637openalex-snapshot

Pressing Carbon Nanotubes Triggers Better Ion Selectivity

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b11260openalex-snapshot

Liquid-Evaporation-Assisted Self-Folding of One-Dimensional Nanomaterials

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b04839openalex-snapshot

Self-Assembly of Alcohols Adsorbed on Graphene

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b05294openalex-snapshot

Water Flow in Silica Nanopores Coated by Carbon Nanotubes from a Wetting Translucency Perspective

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b07503openalex-snapshot

Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies

inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c00387openalex-snapshot

Formation of Graphene Nanoscrolls and Their Electronic Structures Based on Ab Initio Calculations

inferred← citeshttps://doi.org/10.1021/acs.jpclett.8b00466openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acs.langmuir.5b00625openalex-snapshot

Interfacial Tension Does Not Drive Asymmetric Nanoscale Electrowetting on Graphene

inferred← citeshttps://doi.org/10.1021/acs.langmuir.5b02448openalex-snapshot

On the Motion of Carbon Nanotube Clusters near Optical Fiber Tips: Thermophoresis, Radiative Pressure, and Convection Effects

inferred← citeshttps://doi.org/10.1021/acs.langmuir.5b04277openalex-snapshot

Molecular Dynamics Simulation of Atomic Force Microscopy at the Water–Muscovite Interface: Hydration Layer Structure and Force Analysis

inferred← citeshttps://doi.org/10.1021/acs.macromol.5b01782openalex-snapshot

Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

inferred← citeshttps://doi.org/10.1021/acs.macromol.8b01160openalex-snapshot

Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations

inferred← citeshttps://doi.org/10.1021/acs.macromol.9b00574openalex-snapshot

Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations

inferred← citeshttps://doi.org/10.1021/acs.nanolett.4c02106openalex-snapshot

Role of Underlying Substrates on the Interfacial Thermal Transport in Supported Graphene Nanochannels: Implications of Thermal Translucency

inferred← citeshttps://doi.org/10.1021/acs.nanolett.5b03024openalex-snapshot

Kapitza Resistance between Few-Layer Graphene and Water: Liquid Layering Effects

inferred← citeshttps://doi.org/10.1021/acs.nanolett.6b00460openalex-snapshot

Strings-to-Rings Transition and Antiparallel Dipole Alignment in Two-Dimensional Methanols

inferred← citeshttps://doi.org/10.1021/acsami.5b05233openalex-snapshot

Antiwetting Fabric Produced by a Combination of Layer-by-Layer Assembly and Electrophoretic Deposition of Hydrophobic Nanoparticles

inferred← citeshttps://doi.org/10.1021/acsami.5c04471openalex-snapshot

Anion Effects in Electrochemical Transistors with Semiconducting Single-Walled Carbon Nanotube Networks

inferred← citeshttps://doi.org/10.1021/acsami.6b14090openalex-snapshot

Hydrothermally Driven Transformation of Oxygen Functional Groups at Multiwall Carbon Nanotubes for Improved Electrocatalytic Applications

inferred← citeshttps://doi.org/10.1021/acsnano.7b04177openalex-snapshot

Carbon Nanotubes as Thermally Induced Water Pumps

inferred← citeshttps://doi.org/10.1021/acsnano.8b05868openalex-snapshot

van der Waals Graphene Kirigami Heterostructure for Strain-Controlled Thermal Transparency

inferred← citeshttps://doi.org/10.1021/acsomega.1c04436openalex-snapshot

Release of an Encapsulated Peptide from Carbon Nanotubes Driven by Electric Fields: A Molecular Dynamics Study

inferred← citeshttps://doi.org/10.1021/acsomega.5c12920openalex-snapshot

Effects of van der Waals Interaction on N 2 Adsorption on Carbon Nanotubes: Proposal for New Force Field Parameters

inferred← citeshttps://doi.org/10.1021/acsomega.8b02338openalex-snapshot

Role of Molecular Polarity in Thermal Transport of Boron Nitride–Organic Molecule Composites

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