- 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...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1063/1.2349478
-
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- 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
- Copyright date:
- 2006
Journal article
Noncovalent interactions between organometallic metallocene complexes and single-walled carbon nanotubes.
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