• About
  • Policies
  • What is openaccess
  • Library
  • Contact
Advanced search
      View Item 
      •   BUIR Home
      • Scholarly Publications
      • Nanotechnology Research Center (NANOTAM)
      • View Item
      •   BUIR Home
      • Scholarly Publications
      • Nanotechnology Research Center (NANOTAM)
      • View Item
      JavaScript is disabled for your browser. Some features of this site may not work without it.

      Ab initio study of Ru-terminated and Ru-doped armchair graphene nanoribbons

      Thumbnail
      View / Download
      584.5 Kb
      Author
      Sarikavak-Lisesivdin, B.
      Lisesivdin, S. B.
      Özbay, Ekmel
      Date
      2012
      Source Title
      Molecular Physics
      Print ISSN
      0026-8976
      Publisher
      Taylor and Francis
      Volume
      110
      Issue
      18
      Pages
      2295 - 2300
      Language
      English
      Type
      Article
      Item Usage Stats
      169
      views
      139
      downloads
      Abstract
      We investigate the effects of ruthenium (Ru) termination and Ru doping on the electronic properties of armchair graphene nanoribbons (AGNRs) using first-principles methods. The electronic band structures, geometries, density of states, binding energies, band gap information, and formation energies of related structures are calculated. It is well founded that the electronic properties of the investigated AGNRs are highly influenced by Ru termination and Ru doping. With Ru termination, metallic band structures with quasi-zero-dimensional, one-dimensional and quasi-one-dimensional density of states (DOS) behavior are obtained in addition to dominant one-dimensional behavior. In contrast to Ru termination, Ru doping introduces small but measurable (12.4 to 89.6meV) direct or indirect band gaps. These results may present an additional way to produce tunable band gaps in AGNRs.
      Keywords
      Doping
      Passivation
      Ruthenium
      Termination
      Ab initio study
      Armchair graphene nanoribbons
      Density of state
      Electronic band structure
      First principles method
      Formation energies
      Indirect band gap
      Quasi-one-dimensional
      Ru-doping
      termination
      Tunable Band-gap
      Binding energy
      Doping
      Energy gap
      Graphene
      Lithium compounds
      Nanostructures
      Passivation
      Ruthenium
      Electronic properties
      Permalink
      http://hdl.handle.net/11693/21350
      Published Version (Please cite this version)
      http://dx.doi.org/10.1080/00268976.2012.678905
      Collections
      • Department of Electrical and Electronics Engineering 3524
      • Department of Physics 2299
      • Nanotechnology Research Center (NANOTAM) 1006
      Show full item record

      Browse

      All of BUIRCommunities & CollectionsTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartmentsThis CollectionTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartments

      My Account

      Login

      Statistics

      View Usage StatisticsView Google Analytics Statistics

      Bilkent University

      If you have trouble accessing this page and need to request an alternate format, contact the site administrator. Phone: (312) 290 1771
      Copyright © Bilkent University - Library IT

      Contact Us | Send Feedback | Off-Campus Access | Admin | Privacy