Simulation Study of Structural, Transport, and Thermodynamic Properties of TIP4P/2005 Water in Single-Walled Carbon Nanotubes

Christa Guse; Reinhard Hentschke

doi:10.1021/jp210193w

Simulation Study of Structural, Transport, and Thermodynamic Properties of TIP4P/2005 Water in Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry B ◽

10.1021/jp210193w ◽

2012 ◽

Vol 116 (2) ◽

pp. 751-762 ◽

Cited By ~ 11

Author(s):

Christa Guse ◽

Reinhard Hentschke

Keyword(s):

Carbon Nanotubes ◽

Thermodynamic Properties ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Numerical simulation study of the elastic properties of single-walled carbon nanotubes containing vacancy defects

Composites Part B Engineering ◽

10.1016/j.compositesb.2015.11.029 ◽

2016 ◽

Vol 89 ◽

pp. 155-168 ◽

Cited By ~ 15

Author(s):

N.A. Sakharova ◽

A.F.G. Pereira ◽

J.M. Antunes ◽

J.V. Fernandes

Keyword(s):

Numerical Simulation ◽

Carbon Nanotubes ◽

Elastic Properties ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Vacancy Defects ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Molecular dynamics simulation study of neon adsorption on single-walled carbon nanotubes

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2010.07.020 ◽

2010 ◽

Vol 43 (1) ◽

pp. 261-265 ◽

Cited By ~ 8

Author(s):

Masumeh Foroutan ◽

Amir Taghavi Nasrabadi

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Mechanical characterization of single-walled carbon nanotubes: Numerical simulation study

Composites Part B Engineering ◽

10.1016/j.compositesb.2015.01.014 ◽

2015 ◽

Vol 75 ◽

pp. 73-85 ◽

Cited By ~ 30

Author(s):

N.A. Sakharova ◽

A.F.G. Pereira ◽

J.M. Antunes ◽

C.M.A. Brett ◽

J.V. Fernandes

Keyword(s):

Numerical Simulation ◽

Carbon Nanotubes ◽

Simulation Study ◽

Mechanical Characterization ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Interaction between single-walled carbon nanotubes and polymers: A molecular dynamics simulation study with reactive force field

Computational Materials Science ◽

10.1016/j.commatsci.2012.01.023 ◽

2012 ◽

Vol 58 ◽

pp. 7-11 ◽

Cited By ~ 56

Author(s):

Esmaeil Zaminpayma ◽

Kavoos Mirabbaszadeh

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Reactive Force ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Molecular dynamics simulation study on the interfacial contact behavior between single-walled carbon nanotubes and nanowires

Applied Surface Science ◽

10.1016/j.apsusc.2020.145696 ◽

2020 ◽

Vol 512 ◽

pp. 145696 ◽

Cited By ~ 15

Author(s):

Jianlei Cui ◽

Xiaoying Ren ◽

Huanhuan Mei ◽

Xuewen Wang ◽

Jianwei Zhang ◽

...

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Contact Behavior ◽

Single Walled Carbon ◽

Interfacial Contact ◽

Walled Carbon Nanotubes

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Simulation study of hydrogen storage in single walled carbon nanotubes

International Journal of Hydrogen Energy ◽

10.1016/s0360-3199(01)00005-2 ◽

2001 ◽

Vol 26 (7) ◽

pp. 691-696 ◽

Cited By ~ 49

Author(s):

C Gu

Keyword(s):

Carbon Nanotubes ◽

Hydrogen Storage ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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A significant reduction of ice adhesion on nanostructured surfaces that consist of an array of single-walled carbon nanotubes: A molecular dynamics simulation study

Applied Surface Science ◽

10.1016/j.apsusc.2017.12.096 ◽

2018 ◽

Vol 437 ◽

pp. 202-208 ◽

Cited By ~ 8

Author(s):

Luyao Bao ◽

Zhaoyuan Huang ◽

Nikolai V. Priezjev ◽

Shaoqiang Chen ◽

Kai Luo ◽

...

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Nanostructured Surfaces ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Ice Adhesion

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Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2010.09.017 ◽

2010 ◽

Vol 55 (2) ◽

pp. 510-523 ◽

Cited By ~ 79

Author(s):

George P. Lithoxoos ◽

Anastasios Labropoulos ◽

Loukas D. Peristeras ◽

Nikolaos Kanellopoulos ◽

Jannis Samios ◽

...

Keyword(s):

Carbon Nanotubes ◽

Monte Carlo ◽

Molecular Simulation ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Adsorption Of N2

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Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs

Molecular Simulation ◽

10.1080/08927022.2019.1679363 ◽

2019 ◽

Vol 46 (2) ◽

pp. 111-120 ◽

Cited By ~ 2

Author(s):

Zahra Ghadri ◽

Heidar Raissi ◽

Mahnaz Shahabi ◽

Farzaneh Farzad

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Anticancer Drugs ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Molecular Dynamics Simulation Study of Ionic Hydration in Negatively Charged Single-Walled Carbon Nanotubes

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2010.2933 ◽

2010 ◽

Vol 10 (11) ◽

pp. 7620-7624 ◽

Cited By ~ 5

Author(s):

Xiaojing Guo ◽

Qing Shao ◽

Linghong Lu ◽

Yudan Zhu ◽

Mingjie Wei ◽

...

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Ionic Hydration ◽

Walled Carbon Nanotubes

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