Ion transport through gated carbon nanotubes: molecular dynamics simulations using polarizable water

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131022 ◽

2021 ◽

pp. 131022

Author(s):

Andrada-Elena Ailenei ◽

Titus Adrian Beu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

Get full-text (via PubEx)

Molecular dynamics simulations of ion transport through carbon nanotubes. I. Influence of geometry, ion specificity, and many-body interactions

The Journal of Chemical Physics ◽

10.1063/1.3387972 ◽

2010 ◽

Vol 132 (16) ◽

pp. 164513 ◽

Cited By ~ 67

Author(s):

Titus A. Beu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Many Body ◽

Ion Specificity ◽

Dynamics Simulations ◽

Many Body Interactions

Get full-text (via PubEx)

Molecular dynamics simulations of ion transport through carbon nanotubes. II. Structural effects of the nanotube radius, solute concentration, and applied electric fields

The Journal of Chemical Physics ◽

10.1063/1.3615727 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044515 ◽

Cited By ~ 16

Author(s):

Titus A. Beu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Electric Fields ◽

Solute Concentration ◽

Structural Effects ◽

Dynamics Simulations

Get full-text (via PubEx)

Molecular dynamics simulations of ion transport through carbon nanotubes. III. Influence of the nanotube radius, solute concentration, and applied electric fields on the transport properties

The Journal of Chemical Physics ◽

10.1063/1.3615728 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044516 ◽

Cited By ~ 29

Author(s):

Titus A. Beu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Transport Properties ◽

Electric Fields ◽

Solute Concentration ◽

Dynamics Simulations

Get full-text (via PubEx)

Molecular Dynamics Simulations of Polymers with Stiff Backbones Interacting with Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry B ◽

10.1021/jp101191j ◽

2010 ◽

Vol 114 (29) ◽

pp. 9349-9355 ◽

Cited By ~ 88

Author(s):

Syamal S. Tallury ◽

Melissa A. Pasquinelli

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

Get full-text (via PubEx)

Describing Binary Mixture Diffusion in Carbon Nanotubes with the Maxwell−Stefan Equations. An Investigation Using Molecular Dynamics Simulations

Industrial & Engineering Chemistry Research ◽

10.1021/ie051126d ◽

2006 ◽

Vol 45 (6) ◽

pp. 2084-2093 ◽

Cited By ~ 42

Author(s):

R. Krishna ◽

J. M. van Baten

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Binary Mixture ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

Get full-text (via PubEx)

On the interfacial characteristics of polyethylene/single-walled carbon nanotubes using molecular dynamics simulations

Applied Surface Science ◽

10.1016/j.apsusc.2013.12.087 ◽

2014 ◽

Vol 292 ◽

pp. 958-970 ◽

Cited By ~ 31

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes ◽

Interfacial Characteristics

Get full-text (via PubEx)

Examining the effects of wall numbers on buckling behavior and mechanical properties of multiwalled carbon nanotubes via molecular dynamics simulations

Journal of Applied Physics ◽

10.1063/1.2890146 ◽

2008 ◽

Vol 103 (5) ◽

pp. 053505 ◽

Cited By ~ 22

Author(s):

Y. Y. Zhang ◽

C. M. Wang ◽

V. B. C. Tan

Keyword(s):

Mechanical Properties ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Multiwalled Carbon Nanotubes ◽

Multiwalled Carbon ◽

Buckling Behavior ◽

Dynamics Simulations

Get full-text (via PubEx)

Molecular dynamics simulations of the polymer/amine functionalized single-walled carbon nanotubes interactions

Applied Surface Science ◽

10.1016/j.apsusc.2018.04.133 ◽

2018 ◽

Vol 455 ◽

pp. 171-180 ◽

Cited By ~ 11

Author(s):

R. Ansari ◽

S. Rouhi ◽

S. Ajori

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Amine Functionalized ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

Get full-text (via PubEx)

Molecular dynamics simulations of the wetting behavior of carbon nanotubes in liquid copper

Computers & Fluids ◽

10.1016/j.compfluid.2018.06.004 ◽

2018 ◽

Vol 172 ◽

pp. 19-28

Author(s):

Bryan T. Susi ◽

Jay F. Tu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Liquid Copper ◽

Wetting Behavior ◽

Dynamics Simulations

Get full-text (via PubEx)

Microscopic Structure and Dynamics of Molecular Liquids and Electrolyte Solutions Confined by Carbon Nanotubes: Molecular Dynamics Simulations

Carbon Nanotubes - Synthesis, Characterization, Applications ◽

10.5772/20943 ◽

2011 ◽

Author(s):

Oleg N. ◽

Vitaly V. ◽

Oleg V.

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Electrolyte Solutions ◽

Microscopic Structure ◽

Molecular Liquids ◽

Structure And Dynamics ◽

Dynamics Simulations

Get full-text (via PubEx)