Alternating electric field-induced ion current rectification and electroosmotic pump in ultranarrow charged carbon nanocones

2018 ◽  
Vol 20 (44) ◽  
pp. 27910-27916 ◽  
Author(s):  
Wen Li ◽  
Wensen Wang ◽  
Quangang Hou ◽  
Youguo Yan ◽  
Caili Dai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Ion Current ◽  
Carbon Nanocones ◽  
Ion Current Rectification ◽  
Electroosmotic Pump ◽  
Alternating Electric Field ◽  
Sinusoidal Electric Field ◽  
Current Rectification ◽  
Dynamics Simulations

Molecular dynamics simulations were performed to study a symmetrical sinusoidal electric field-induced electroosmotic pump in ultranarrow charged carbon nanocone (CNC) channels.

Ion Current Rectification Behavior of Bioinspired Nanopores Having a pH-Tunable Zwitterionic Surface

2017 ◽  
Vol 89 (7) ◽  
pp. 3952-3958 ◽  
Author(s):  
Jyh-Ping Hsu ◽  
Hou-Hsueh Wu ◽  
Chih-Yuan Lin ◽  
Shiojenn Tseng
Keyword(s):  
Ion Current ◽  
Ion Current Rectification ◽  
Current Rectification

Molecular Dynamics Studies of Nanotube Growth in a Carbon ARC

1994 ◽  
Vol 359 ◽  
Author(s):  
C. J. Brabec ◽  
A. Maiti ◽  
C. Roland ◽  
J. Bernholc
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Arc Discharge ◽  
Critical Diameter ◽  
Critical Factor ◽  
Carbon Arc ◽  
Dynamics Simulations ◽  
Nanotube Growth ◽  
Brenner Potential

ABSTRACTIt has been shown experimentally that the growth of carbon nanotubes in an arc discharge is open-ended. This is surprising, because dangling bonds at the end of open tubes make the closed tube geometry more favorable energetically. Recently, it has been proposed that the large electric fields present at the tip of tube is the critical factor that keeps the tube open. We have studied the effects of the electric field on the growth of the nanotubes via ab initio molecular dynamics simulations. Surprisingly, it is found that the electric field cannot play a significant role in keeping the tubes open, implying that some other mechanism must be important. Extensive studies of the energetics and simulations of the growth of tubes were performed using a threebody Tersoff-Brenner potential. Our results show that there exists a critical diameter of ∼ 3 nm above which a defect-free growth of a straight tubule is possible. Narrower tubes stabilize configurations with adjacent pentagons that lead to tube-closure and termination of the growth. This explains the absence of tube narrower than 2.2 nm in arc discharge experiments.

scholarly journals Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface

2020 ◽  
Author(s):  
Paolo Raiteri ◽  
Peter Kraus ◽  
Julian Gale
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Electric Fields ◽  
Liquid Interfaces ◽  
Ewald Summation ◽  
External Electric Fields ◽  
Simulation Cell ◽  
Dynamics Simulations

Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>

scholarly journals Accurate characterization of single track-etched, conical nanopores

2014 ◽  
Vol 16 (29) ◽  
pp. 15214-15223 ◽  
Author(s):  
Pavel Yu. Apel ◽  
Patricio Ramirez ◽  
Irina V. Blonskaya ◽  
Oleg L. Orelovitch ◽  
Bozena A. Sartowska
Keyword(s):  
Ion Current ◽  
Single Track ◽  
Ion Current Rectification ◽  
Conical Nanopores ◽  
Current Rectification

Deviation from cone geometry significantly influences the ion current rectification through track-etched nanopores with tip radii smaller than 10 nm.

scholarly journals Origin of the enhanced structural and reorientational relaxation rates in the presence of relatively weak dc electric fields

2004 ◽  
Vol 76 (1) ◽  
pp. 215-221 ◽  
Author(s):  
A. Vegiri
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Structural Relaxation ◽  
Structural Changes ◽  
Common Mechanism ◽  
Weak Electric Field ◽  
Water Molecules ◽  
Relaxation Rates ◽  
Dynamics Simulations

The origin of the dramatic increase of the reorientational and structural relaxation rates of single water molecules in clusters of size N = 16, 32, and 64 at T = 200 K, under the influence of an external, relatively weak electric field (~0.5 107 V/cm) is examined through molecular dynamics simulations. The observed effect is attributed not to any profound structural changes, but to the increase of the size of the molecular cage. The response of water to an electric field in this range shows many similarities with the dynamics of water under low pressure. By referring to simulations and experiments from the literature, we show that in both cases the observed effects are dictated by a common mechanism.

Bioinspired Multivalent Ion Responsive Nanopore with Ultrahigh Ion Current Rectification

2019 ◽  
Vol 123 (22) ◽  
pp. 13687-13692 ◽  
Author(s):  
Zhong-Qiu Li ◽  
Yang Wang ◽  
Zeng-Qiang Wu ◽  
Ming-Yang Wu ◽  
Xing-Hua Xia
Keyword(s):  
Ion Current ◽  
Ion Current Rectification ◽  
Current Rectification

scholarly journals Analysis of an all-solid state nanobattery using molecular dynamics simulations under an external electric field

2021 ◽  
Vol 23 (1) ◽  
pp. 597-606
Author(s):  
Victor Ponce ◽  
Diego E. Galvez-Aranda ◽  
Jorge M. Seminario
Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Dynamics Simulations

Speciation at the SEI and SSE of a solid-state nanobattery.

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