Enhanced binding strength between metal nanoclusters and carbon nanotubes with an atomic nickel defect
Cited 0 times inCited 0 times in
- Enhanced binding strength between metal nanoclusters and carbon nanotubes with an atomic nickel defect
- Sung, Dongchul; Park, Noejung; Kim, Gunn; Hong, Suklyun
- Binding affinities; Binding properties; Binding strength; Carbon nanotubes (CNTs); Complex composites; Defect-free; Metal nanoclusters; Ni adatom; Spin-polarized density functional theory
- Issue Date
- IOP PUBLISHING LTD
- NANOTECHNOLOGY, v.23, no.20, pp. -
- Using spin-polarized density functional theory calculations, we study binding properties of small metal nanoclusters (Cu-13 and Al-13) onto carbon nanotubes (CNTs). On defect-free CNTs, the binding affinity with the Cu or Al cluster is very weak. When various defects such as vacancies, substitutional nickel defects, and nickel adatoms are introduced in CNTs to increase the binding strength, the binding energies of the metal nanoclusters increase substantially irrespective of types of defects. The effect of the Ni adatom is especially noticeable. Our results propose a method for improving the wettability of metal-CNT complex composites.
- ; Go to Link
Appears in Collections:
- SNS_Journal Papers
can give you direct access to the published full text of this article. (UNISTARs only)
Show full item record
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.