Optoelectronic properties of vacancy structural defects in borophene monolayer

Currently, a large number of two-dimensional structures-comprising monolayers, bilayers, or multilayers of a single compound or combinations of different materials-either exist or are being synthetically created. These structures exhibit interesting characteristics from both basic and applied research perspectives. Among them, one of the 2D boron allotropes, borophene, has

recently attracted significant attention due to its exceptional structural complexity, extreme hardness, and high chemical stability, among other properties. In this work, we study borophene

by systematically calculating its electronic properties, including band structure, density of states, optical response, and theoretical STM images, for both pristine monolayer borophene and a

monolayer with vacancies. The basic optoelectronic properties are evaluated using density functional theory. We report that a borophene monolayer with vacancies exhibits optical

conductivity and absorption coefficient in the visible region of the electromagnetic spectrum, with light polarized along the x- and y-directions features not observed in pristine monolayer

borophene.