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Reduction in the electronic band gap of titanium oxide nanotubes
- Source :
-
Solid State Communications . Jan2007, Vol. 141 Issue 3, p168-171. 4p. - Publication Year :
- 2007
-
Abstract
- Abstract: The structural and electronic properties of individual titanium oxide nanotubes have been studied using both empirical and ab initio calculations. Two different types of titanium oxide nanotubes (A-nanotube and B-nanotube) have been constructed and energy-minimized by molecular mechanics calculations. We found that the A-nanotubes are energetically more favorable than the B-nanotubes. The electronic band structure of the titanium oxide nanotubes was also calculated with respect to the tubule diameter and the tubule type using the ab initio method. The band gap of the A-nanotube was reduced by up to 60% as the tubule diameter decreases from 1.2 nm to 0.5 nm. [Copyright &y& Elsevier]
- Subjects :
- *NANOTUBES
*TITANIUM dioxide
*QUANTUM theory
*ELECTRONICS
Subjects
Details
- Language :
- English
- ISSN :
- 00381098
- Volume :
- 141
- Issue :
- 3
- Database :
- Academic Search Index
- Journal :
- Solid State Communications
- Publication Type :
- Academic Journal
- Accession number :
- 23301570
- Full Text :
- https://doi.org/10.1016/j.ssc.2006.09.055