Nanotechnology 2021 Jun 24. Epub 2021 Jun 24.
Instituto de Fisica, Universidade Federal do Rio de Janeiro, Bloco A Centro de Tecnologia, Av. Athos da Silveira Ramos, 149 - Cidade Universitária da Universidade Federal do Rio de Janeiro, Rio de Janeiro - RJ, Rio de Janeiro, 21941-909, BRAZIL.
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-Buttiker 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. Read More