Interaction between H2O, N2, CO, NO, NO2 and N2O molecules and a defective WSe2 monolayer.

In this study, the interaction between gas molecules, including H2O, N2, CO, NO, NO2 and N2O, and a WSe2 monolayer containing an Se vacancy (denoted as VSe) has been theoretically studied. Theoretical results show that H2O and N2 molecules are highly prone to be physisorbed on the VSe surface. The presence of the Se vacancy can significantly enhance the… CONTINUE READING