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Title: Quantum conductance of zigzag graphene oxide nanoribbons

The electronic properties of zigzag graphene oxide nanoribbons (ZGOR) are presented. The results show interesting behaviors which are considerably different from the properties of the perfect graphene nanoribbons (GNRs). The theoretical methods include a Huckel-tight binding approach, a Green's function methodology, and the Landauer formalism. The presence of oxygen on the edge results in band bending, a noticeable change in density of states and thus the conductance. Consequently, the occupation in the valence bands increase for the next neighboring carbon atom in the unit cell. Conductance drops in both the conduction and valence band regions are due to the reduction of allowed k modes resulting from band bending. The asymmetry of the energy band structure of the ZGOR is due to the energy differences of the atoms. The inclusion of a foreign atom's orbital energies changes the dispersion relation of the eigenvalues in energy space. These novel characteristics are important and valuable in the study of quantum transport of GNRs.
Authors:
; ;  [1]
  1. Department of Physics and Astronomy, Center for Computational Nanoscience, Ball State University, Muncie, Indiana 47306 (United States)
Publication Date:
OSTI Identifier:
22273556
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 15; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; ATOMS; CARBON OXIDES; DISPERSION RELATIONS; EIGENVALUES; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; ENERGY-LEVEL DENSITY; GRAPHENE; GREEN FUNCTION; NANOSTRUCTURES; VALENCE