The effect of halogen atom adsorption on electrical and mechanical properties of β12 borophene sheet

Abstract

Borophene as a monolayer of boron atoms has been recently synthesized. Experimental reports show that the borophene can have different stable phases. In this paper, we study the effect of halogen atom adsorption on electrical and mechanical properties of [Formula: see text] borophene sheet using density functional theory. Adsorption of F, Cl, Br and I is considered and it is found that electronegativity and mass of halogen atom significantly affect the mechanical ability of the sheet. Young’s modulus of the sheet is decreased in the presence of halogen atoms. In addition, halogen atoms control electrical properties of the borophene sheet.