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Title: Enhancing conductivity of metallic carbon nanotube networks by transition metal adsorption

The conductivity of carbon nanotube thin films is mainly determined by carbon nanotube junctions, the resistance of which can be reduced by several different methods. We investigate electronic transport through carbon nanotube junctions in a four-terminal configuration, where two metallic single-wall carbon nanotubes are linked by a group 6 transition metal atom. The transport calculations are based on the Green’s function method combined with the density-functional theory. The transition metal atom is found to enhance the transport through the junction near the Fermi level. However, the size of the nanotube affects the improvement in the conductivity. The enhancement is related to the hybridization of chromium and carbon atom orbitals, which is clearly reflected in the character of eigenstates near the Fermi level. The effects of chromium atoms and precursor molecules remaining adsorbed on the nanotubes outside the junctions are also examined.
Authors:
; ;  [1]
  1. COMP, Department of Applied Physics, Aalto University, P.O. Box 11100, FI-00076 Aalto (Finland)
Publication Date:
OSTI Identifier:
22416084
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 5; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 77 NANOSCIENCE AND NANOTECHNOLOGY; ADSORPTION; ATOMS; CARBON NANOTUBES; CHROMIUM; DENSITY FUNCTIONAL METHOD; EIGENSTATES; ELECTRIC CONDUCTIVITY; ELECTRIC CONTACTS; FERMI LEVEL; HYBRIDIZATION; MOLECULES; PRECURSOR; SEMICONDUCTOR JUNCTIONS; THIN FILMS