Abstract
Pristine armchair single wall carbon nanotubes (SWCNTs) are metallic; however, they undergo a transition to semiconductor under certain external perturbations. The effect of the bi-site perturbation created by selenium adsorption on electronic properties of armchair SWCNTs for a range of diameters are studied using first principles calculations. We find that the established rules of periodicity for the relative position of the adsorbates are not sufficient to predict a metal to semiconductor transition. By investigating the structural deformation induced in the nanotubes by the adsorbates, we show that the effects of all possible bi-site perturbations are not equivalent. We also show that this factor becomes significant to predict metallic to semiconductor transition on bi-site perturbed Se adsorbed armchair SWCNTs.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
