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      Effects of charging and electric field on graphene functionalized with titanium

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      Author
      Gürel, H. H.
      Çıracı, Salim
      Date
      2013
      Source Title
      Journal of Physics Condensed Matter
      Print ISSN
      1361-648X
      Publisher
      Institute of Physics Publishing
      Volume
      25
      Issue
      27
      Pages
      275302-1 - 275302-8
      Language
      English
      Type
      Article
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      Abstract
      Titanium atoms are adsorbed to graphene with a significant binding energy and render diverse functionalities to it. Carrying out first-principles calculations, we investigated the effects of charging and static electric field on the physical and chemical properties of graphene covered by Ti adatoms. When uniformly Ti covered graphene is charged positively, its antiferromagnetic ground state changes to ferromagnetic metal and attains a permanent magnetic moment. Static electric field applied perpendicularly causes charge transfer between Ti and graphene, and can induce metal-insulator transition. While each Ti adatom adsorbed to graphene atom can hold four hydrogen molecules with a weak binding, these molecules can be released by charging or applying electric field perpendicularly. Hence, it is demonstrated that charging and applied static electric field induce quasi-continuous and side specific modifications in the charge distribution and potential energy of adatoms absorbed to single-layer nanostructures, resulting in fundamentally crucial effects on their physical and chemical properties. © 2013 IOP Publishing Ltd.
      Keywords
      Titanium
      Permalink
      http://hdl.handle.net/11693/20898
      Published Version (Please cite this version)
      http://dx.doi.org/10.1088/0953-8984/25/27/275302
      Collections
      • Department of Physics 2299
      • Institute of Materials Science and Nanotechnology (UNAM) 1775
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