skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: STM fingerprints of point defects in graphene: a theoretical prediction

Abstract

Scanning tunneling microscopy (STM) is one of the most appropriate techniques to investigate the atomic structure of carbon nanomaterials. However, the experimental identification of topological and nontopological modifications of the hexagonal network of sp{sup 2} carbon nanostructures remains a great challenge. The goal of the present theoretical work is to predict the typical electronic features of a few defects that are likely to occur in sp{sup 2} carbon nanostructures, such as atomic vacancy, divacancy, adatom, and Stone-Wales defect. The modifications induced by those defects in the electronic properties of the graphene sheet are investigated using first-principles calculations. In addition, computed constant-current STM images of these defects are calculated within a tight-binding approach in order to facilitate the interpretation of STM images of defected carbon nanostructures.

Authors:
 [1];  [1];  [2];  [1];  [3]
  1. Facultes Univeritaires Notre-Dame de la Paix, Belgium
  2. ORNL
  3. Universite Catholique de Louvain
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Center for Nanophase Materials Sciences
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
953174
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review B; Journal Volume: 76; Journal Issue: 11
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; CARBON; NANOSTRUCTURES; POINT DEFECTS; SCANNING TUNNELING MICROSCOPY; ELECTRONIC STRUCTURE; ELECTRICAL PROPERTIES

Citation Formats

Amara, Hakim, Latil, Sylvain, Meunier, Vincent, Lambin, Philippe, and Charlier, Jean Christophe. STM fingerprints of point defects in graphene: a theoretical prediction. United States: N. p., 2007. Web. doi:10.1103/PhysRevB.76.115423.
Amara, Hakim, Latil, Sylvain, Meunier, Vincent, Lambin, Philippe, & Charlier, Jean Christophe. STM fingerprints of point defects in graphene: a theoretical prediction. United States. doi:10.1103/PhysRevB.76.115423.
Amara, Hakim, Latil, Sylvain, Meunier, Vincent, Lambin, Philippe, and Charlier, Jean Christophe. Mon . "STM fingerprints of point defects in graphene: a theoretical prediction". United States. doi:10.1103/PhysRevB.76.115423.
@article{osti_953174,
title = {STM fingerprints of point defects in graphene: a theoretical prediction},
author = {Amara, Hakim and Latil, Sylvain and Meunier, Vincent and Lambin, Philippe and Charlier, Jean Christophe},
abstractNote = {Scanning tunneling microscopy (STM) is one of the most appropriate techniques to investigate the atomic structure of carbon nanomaterials. However, the experimental identification of topological and nontopological modifications of the hexagonal network of sp{sup 2} carbon nanostructures remains a great challenge. The goal of the present theoretical work is to predict the typical electronic features of a few defects that are likely to occur in sp{sup 2} carbon nanostructures, such as atomic vacancy, divacancy, adatom, and Stone-Wales defect. The modifications induced by those defects in the electronic properties of the graphene sheet are investigated using first-principles calculations. In addition, computed constant-current STM images of these defects are calculated within a tight-binding approach in order to facilitate the interpretation of STM images of defected carbon nanostructures.},
doi = {10.1103/PhysRevB.76.115423},
journal = {Physical Review B},
number = 11,
volume = 76,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}