Stability of irradiation-induced point defects on walls of carbon nanotubes
نویسنده
چکیده
Using empirical-potential and tight-binding models, we study the structure and stability of atomic-scale irradiation-induced defects on walls of carbon nanotubes. Since atomic vacancies are the most prolific but metastable defects which appear under low-dose, low temperature ion irradiation, we model the temporal evolution of single vacancies and vacancyrelated defects (which isolated vacancies can turn into) and calculate their lifetimes at various temperatures. We further simulate scanning-tunneling microscopy (STM) images of irradiated nanotubes with the defects, employing for this the tight-binding Green’s function technique. Our simulations demonstrate that the defects live long enough at low temperatures to be detected by STM and that different defects manifest themselves in STM images in different ways, all of which makes it possible to detect and distinguish the defects experimentally. A. Carbon nanotubes; C. Computational chemistry; Scanning tunneling microscopy; D. Defects; Electronic structure. *Corresponding author, e-mail: [email protected]; Fax +358-9-19150042
منابع مشابه
Defect-related hysteresis in nanotube-based nano-electromechanical systems
The electronic properties of multi-walled carbon nanotubes (MWCNTs) depend on the positions of their walls with respect to neighboring shells. This fact can enable several applications of MWCNTs as nano-electromechanical systems (NEMS). In this article, we report the findings of a first-principles study on the stability and dynamics of point defects in double-walled carbon nanotubes (DWCNTs) an...
متن کاملMolecular Dynamics Simulations of Strained and Defective Carbon Nanotubes
Carbon nanotubes are tubular molecules of pure carbon with typical diameters of 1 nm – 100 nm and lengths from 100 nm up to several cm. The nanotubes have outstanding electronical and mechanical properties which has resulted in remarkable scientific interest and in proporsals of various applications. For example, their ability to be either metals or semiconductors enables the usage of nanotubes...
متن کاملInvestigation of Dynamical Behavior (Transverse Vibration) and Instability Analysis of Carbon Nanotubes Conveying Nanofluid
This work focuses on the dynamical behavior of carbon nanotubes, including vibration, wave propagation and fluid-structure interaction. In the present research, transverse vibration of nano fluid conveying carbon nanotubes is investigated. To this end, based on the nonlocal and strain-inertia gradient continuum elasticity theories and by using rod and Euler-Bernoulli beam models, the system’s d...
متن کاملCharacterization of ion-irradiation-induced defects in multi-walled carbon nanotubes
We study the effects of Ar, He and C+ ion irradiation on multiwalled carbon nanotubes at room and elevated temperatures with transmission electron microscopy (TEM) and Raman spectroscopy. Based on the TEM data, we introduce a universal damage scale for the visual analysis and characterization of irradiated nanotubes. We show for the first time that the amount of irradiation-induced damage in na...
متن کامل