Characteristics of boron and nitrogen species on aluminum surface

The interactions of boron and nitrogen atoms with an aluminum (0 0 1) surface have been studied by means of density functional theory (DFT). Calculations of potential energy surfaces show that the nitrogen adsorption favors the formation of stronger bond with aluminum than the boron adsorption. This study indicates that a surface substrate of nitride as the first step in boron nitride deposition on aluminum would facilitate a good adhesion of the grown film with the substrate.