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Functionalization of carbon nanotubes by covalently bonded graphite nanoplatelets: a theoretical study

✍ Scribed by Andrey N. Enyashin; Alexander L. Ivanovskii

Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
361 KB
Volume
17
Category
Article
ISSN
0959-9436

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✦ Synopsis

Atomic models of carbon nanotubes functionalised by the covalently bonded graphite nanoplatelets are proposed and stability and electronic properties of these new (sp + sp 2 + sp 3 ) adducts are studied using the density functional tight-binding theory (DFTB) method.

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## Abstract The nature of the bonding between bridgehead carbon atoms (Ca, Caβ€²) as well as the ring strain in a family of 10 propellanes formed by three‐, four‐, or five‐member rings: [1.1.1] (I), [2.1.1] (II), [3.1.1] (III), [2.2.1] (IV), [3.2.1] (V), [2.2.2] (VI), [3.3.1] (VII), [3.2.2] (VIII), [