|
Abstract
|
The great research attention is currently focused on two-dimensional (2D) nanomaterials
due to their outstanding physical properties and diverse technological applications [1] . We have
studied the electronic properties of Mo-doped WSe 2 system by density functional theory
calculations. We have examined the adsorption of some small molecules such as CO and NO on
the surface of WSe 2 . The results suggest different adsorption behaviors for NO and CO on the
surfaces of nanosheets [2] . The obtained results include the analyses of the electronic band
structures, PDOS diagrams and charge transfers. We have perfumed density functional theory
(DFT) on our calculations.
|