Abstract
The effect of Se vacancies on the electronic and transport properties of MoSe2 monolayer is studied using the density functional theory (DFT) and semi-classical Boltzmann transport theory. The calculated results show that the introduction of vacancies in the lattice results in the creation of dangling states in the gap region between conduction band minimum and valance band maximum. As a result, the band gap of the monolayer show decreased values. The transport properties of the monolayer are also greatly affected by the vacancies in the lattice. The power factor of the monolayer show decreased values with the introduction of vacancies in the lattice.