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Journal article

Noncovalent interactions between organometallic metallocene complexes and single-walled carbon nanotubes.

Abstract:

First principles density functional pseudopotential calculations have been used to investigate the nature of interactions between single-walled carbon nanotubes (SWNTs) and intercalated transition metal metallocene complexes, M(eta-C(5)H(5))(2) (MCp(2)). Three composites, MCp(2)-graphene (d(t)=infinity), MCp(2)@(17,0) (d(t)=1.33 nm), and MCp(2)@(12,0) (d(t)=0.94 nm) (where M=Fe,Co), have been studied to probe the influence of the nanotube diameter (d(t)) on the nature and magnitude of the int...

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Publication status:
Published

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Publisher copy:
10.1063/1.2349478

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
Role:
Author
Journal:
The Journal of chemical physics
Volume:
125
Issue:
15
Pages:
154704
Publication date:
2006-10-05
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
URN:
uuid:e214d9a4-3cfb-44ea-a0af-9ee17a79c259
Source identifiers:
33642
Local pid:
pubs:33642
Language:
English

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