Browsing Theoretical and Applied Physics by Subject "Dr. Okikiola Olaniyan"
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AB Initio Study of Surface Energy, Surface Stress and Coupling Coefficient of Au (111)
(AUST, 2023-12-10)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 ...
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Structural and electronic properties of a two-dimensional hybrid system of graphene and hexagonal boron nitride: A first-principles study
(AUST, 2019-06-02)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 ...