First principles study on the boron–nitrogen domains segregated within (5,5) and (8,0) single-wall carbon nanotubes: Formation energy, electronic structure and reactivity

Title
First principles study on the boron–nitrogen domains segregated within (5,5) and (8,0) single-wall carbon nanotubes: Formation energy, electronic structure and reactivity
Authors
Keywords
-
Journal
Computational and Theoretical Chemistry
Volume 996, Issue -, Pages 11-20
Publisher
Elsevier BV
Online
2012-07-24
DOI
10.1016/j.comptc.2012.07.004

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