Tailoring electronic properties and work function of monolayer plumbene by substitutional doping and biaxial strain

Abstract

Recent advancements in two-dimensional materials have revealed remarkable electronic and physical properties for their applications in nanoelectronics and optoelectronics. In this research article, we have investigated the electronic properties of plumbene, a recently discovered two-dimensional material using first-principle calculations. We investigated the effect of substitutional doping with atoms from groups 13–15 of the periodic table and biaxial strain on the electronic properties and work function of plumbene. Our calculations show that doped plumbene exhibit a systematic change in the work function value on substitutional doping from groups 13–15, further modulated by strain. By substitutional doping and biaxial strain, the work function of plumbene is found to vary over a wide range of 3.80eV – 4.14eV. Tunability of the electronic properties indicate the potential for the experimental implementation of plumbene-based optoelectronic devices.