20th Brazilian Workshop On Semiconductor Physics

Session

Oral

12 sept. 2022, 10:10

Instituto Tecnológico de Aeronáutica

Documents de présentation

4-new.pdf

34. Stability of subnanometer MoS wires under realistic environment

Prof. Andreia Luisa da Rosa (Universidade Federal de Goiás)

12/09/2022 10:10

Abstract

We carried out first-principles density functional theory calculations of hydrogen and oxygen adsorption and diffusion on subnanometer MoS nanowires. The nanowires are robust against adsorption of hydrogen. On the other hand, interaction with oxygen shows that the nanowires can oxidize with a small barrier. Our results open the path for understanding the behavior of MoS nanowires...