Structures, Mobilities, and Electronic Properties of Functionalized Silicene: Superhalogen BO Adsorption.

The narrow band gap of silicene severely hinders its application in nanoelectronic devices. Therefore, it is significant to open the band gap of silicene and maintain its high carrier mobility. And for that, the adsorption of different coverage superhalogens BO on the silicene surface have been investigated based on density functional theory and the CALYPSO method.