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Oxygen effects on the electronic transport in stanene.

F W N SilvaEduardo B BarrosRodrigo B Capaz
Published in: Nanotechnology (2021)
In this work, we study theoretically the structural, electronic and transport properties of oxidized stanene using a combination of density functional theory (DFT), quantum molecular dynamics and the Landauer-Büttiker theory for the ballistic transport. Our results clearly show that oxygen adsorb onto stanene surface in both molecular or atomic forms, thus causing considerable modifications to its electronic structure and transport properties. Nevertheless, our quantum conductance calculations reveal that, in spite of oxidation, stanene still remains a good conductor that might be applied as field effect transistors, gas sensors and other devices.
Keyphrases
  • molecular dynamics
  • density functional theory
  • gene expression
  • single molecule
  • single cell
  • molecular docking
  • energy transfer