Title :
Molecular Dynamics simulations of ionic transport through voltage-controlled carbon nanotubes
Author :
Beu, Titus Adrian
Author_Institution :
Fac. of Phys., Univ. “Babes-Bolyai”, Cluj-Napoca, Romania
Abstract :
Molecular Dynamics simulations of the flow of aqueous electrolyte solutions through carbon nanotubes are presented. The pronounced solution structuring, energy barriers and diverse transport features are related to the nanotube geometry, solute specificity, concentration, and applied electric fields. The control of the ionic transport by means of applied surface charges is investigated and the role of the induced dipole interactions is analyzed.
Keywords :
carbon nanotubes; electrolytes; ionic conductivity; molecular dynamics method; C; aqueous electrolyte solutions; dipole interactions; energy barriers; ionic transport; molecular dynamics simulations; solute specificity; voltage-controlled carbon nanotubes; Ions; Predictive models; Transistors;
Conference_Titel :
Nanotechnology (IEEE-NANO), 2012 12th IEEE Conference on
Conference_Location :
Birmingham
Print_ISBN :
978-1-4673-2198-3
DOI :
10.1109/NANO.2012.6322070
