Antimony Selenide Crystals Encapsulated within Single Walled Carbon Nanotubes-A DFT Study

The structure and binding energies of antimony selenide crystals encapsulated within single-walled carbon nanotubes are studied using density functional theory. Calculations were performed on the simulated Sb2Se3 structure encapsulated within single walled nanotube to investigate the perturbations o...

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Bibliographic Details
Main Author: Navaratnarajah Kuganathan
Format: Article
Language:English
Published: Wiley 2009-01-01
Series:E-Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2009/837807
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