• About
  • Policies
  • What is open access
  • 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.

      Electronic properties of graphene nanoribbons doped with zinc, cadmium, mercury atoms

      Thumbnail
      Embargo Lift Date: 2020-10-01
      View / Download
      3.4 Mb
      Author(s)
      Ömeroğlu, O.
      Kutlu, E.
      Narin, P.
      Lisesivdin, S. B.
      Özbay, Ekmel
      Date
      2018
      Source Title
      Physica E: Low-Dimensional Systems and Nanostructures
      Print ISSN
      1386-9477
      Publisher
      Elsevier B.V.
      Volume
      104
      Pages
      124 - 129
      Language
      English
      Type
      Article
      Item Usage Stats
      208
      views
      117
      downloads
      Abstract
      The effect of substitutional impurities as Zinc (Zn), Cadmium (Cd) and Mercury (Hg) on electronic properties of graphene nanoribbons (GNRs) was investigated by using Density Functional Theory (DFT). A substantial change in the electronic properties of GNR structures was observed while changing the position of dopant atom from the edge to the center of armchair graphene nanoribbons (AGNRs) and zigzag graphene nanoribbons (ZGNRs). The calculations are shown that the electronic band gap of GNRs can be controlled depending on the position of dopant atoms. The calculated electronic band structures for both AGNRs and ZGNRs show spin-dependent metallic or semiconductor behavior according to the position of dopant atoms. From the Density of States (DOS) information, quasi-zero-dimensional (Q0D) and quasi-one-dimensional (Q1D) type behaviors are observed. It is shown that because the doped ZGNRs had the lowest total energies, ZGNRs are energetically more stable than AGNRs.
      Keywords
      Cadmium
      DFT
      Doping
      Graphene nanoribbon
      Mercury
      Zinc
      Permalink
      http://hdl.handle.net/11693/49943
      Published Version (Please cite this version)
      https://doi.org/10.1016/j.physe.2018.07.017
      Collections
      • Department of Electrical and Electronics Engineering 3863
      • Department of Physics 2485
      • Institute of Materials Science and Nanotechnology (UNAM) 2098
      • Nanotechnology Research Center (NANOTAM) 1125
      Show full item record

      Browse

      All of BUIRCommunities & CollectionsTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartmentsCoursesThis CollectionTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartmentsCourses

      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 2976
      © Bilkent University - Library IT

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