Electronic characteristics of SbBi binary nanoflakes

Abstract

The structural and electronic characteristics of the Antimony–Bismuth binary monolayer is presented here. The electronic gap is reported as a function of the nanoflake dimensions. Tunable photocatalytic properties are observed. The stability of the SbBi binary nanoflakes falls by widening the nanosheet from both sides of the Zigzag and Armchair edges. The dependency of the energy bandgap between frontier orbital levels concerning the nanoflakes width across either of the Zigzag and Armchair boundaries are explored for structures having maximum of 388 atoms. Regions of chemical activity in SbBi monolayers are mainly focused on their middling points, leading to negligible chemical activity along the edges. Furthermore, some of the considered nanoflakes ions exhibit strong spin-exchange splitting. © 2022 Elsevier B.V.