Local heating of molecular motors using single carbon nanotubes

Joule heating in single-walled carbon nanotubes

Joule heating in single-walled carbon nanotubes CNTs using a quantum mechanical approach is presented in this paper. The modeling is based on the energy transfer between the electrons and both acoustic and optical phonons. In this formulation, only the knowledge of the full energy dispersion relation, phonon dispersion relation, and the electron-phonon coupling potential is required for the cal...

Molecular Dynamics Investigation of The Elastic Constants and Moduli of Single Walled Carbon Nanotubes

Determination of the mechanical properties of carbon nanotubes is an essential step in their applications from macroscopic composites to nano-electro-mechanical systems. In this paper we report the results of a series of molecular dynamics simulations carried out to predict the elastic constants, i.e. the elements of the stiffness tensor, and the elastic moduli, namely the Young’s and shear mod...

Investigation of Molecular Selenium ‎Adsorption to the Outer Surface of Single ‎Wall Carbon Nanotubes

   In this study the adsorption of selenium molecule (Se2) on the outer surface of zigzag (5,0), (8,0) and (10,0) carbon nanotubes has been investigated. We examined number adsorbed orientations as well as different adsorption sites on nanotubes. The adsorption energies, equilibrium distances, energy differences between the highest occupied molecular orbital (HOMO) and lowest uno...

Molecular photodesorption from single-walled carbon nanotubes

Growth Mechanism of Oriented Long Single Walled Carbon Nanotubes Using “Fast-Heating” Chemical Vapor Deposition Process

The growth mechanism of long and aligned single walled carbon nanotubes using a recently reported “fast heating” chemical vapor deposition (CVD) method is discussed. The effect of heating speed at the initial stage of the CVD process has been systematically studied, and a “kite-mechanism” for the nanotube growth is proposed. The understanding of the growth mechanism would enable us to design fu...