Document Type
Article
Original Publication Date
2012
Journal/Book/Conference Title
Journal of Applied Physics
Volume
111
Issue
12
DOI of Original Publication
10.1063/1.4729565
Date of Submission
October 2015
Abstract
Structure, energetics, and electrical properties of (3,3) carbon nanotube(CNT) supported on patterned hydrogen terminated Si(001): 2 × 1 surface are studied using density functional theory. Our investigation reveals that an otherwise metallic (3,3) CNT when supported becomes semiconducting with a band gap of ≈0.5 eV due to its strong interaction with the surface. During adsorption, Si-C bonds form at the interface and charges transfer from Si surface to CNT. The Si-C bonds at the interface are partially covalent and partially ionic in nature. Under the application of an external electric field, the bandgap of the supported CNT reduces to zero, hence rendering the system metallic.
Rights
Gupta, B. C., Konar, S., & Jena, P. Electrical transition of (3,3) carbon nanotube on patterned hydrogen terminated Si(001)-2 x 1 driven by electric field. Journal of Applied Physics, 111, 123717 (2012). Copyright © 2012 American Institute of Physics.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.4729565