This study investigates ab initio exploration of the Au (111) surface within the generalized gradient approximation, with a primary focus on assessing the convergence properties of this noble metal. An in-depth analysis ...

A two-dimensional hybrid material with graphene and hexagonal boron (h-BN) domain is considered as viable material for future generations of flexible electronic devices due to the tunable band gap, excellent mechanical and ...

Despite the excellent properties of graphene, graphene based electronic devices are yet to be realized, one of the reason for such is the absence of band gap in graphene. Due to its large band gap, hexagonal boron nitride ...