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Applied Physics Letters / Volume 90 / Issue 15 / NANOSCALE SCIENCE AND DESIGN

Appl. Phys. Lett. 90, 153110 (2007); http://dx.doi.org/10.1063/1.2721131 (3 pages)

Extended electronic states above metal-doped carbon nanostructures

Stanislav R. Stoyanov, Petr Král, and Boyang Wang

Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607

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(Received 18 December 2006; accepted 24 February 2007; published online 11 April 2007)

Spatially extended electronic states formed above metal atoms covalently attached to carbon nanostructures are presented by ab initio calculations. These extended states are largely composed of the unpopulated 5–6s atomic orbitals of the metal atom. They could be manipulated by electric and optical fields and used in electron emission. The metallic sites can also facilitate binding and releasing of ions, atoms, and molecular ligands, so the structures can serve as “atomic nanotools.”

© 2007 American Institute of Physics

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KEYWORDS and PACS

Keywords

band structure, carbon, nanostructured materials, ab initio calculations

PACS

  • 73.22.-f

    Electronic structure of nanoscale materials and related systems

  • 71.20.Ps

    Other inorganic compounds

  • 71.15.-m

    Methods of electronic structure calculations

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2721131

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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