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Materials Design And Band Gap Engineering Of Complex Nanostructures Using A Semi-Empirical Approach : Low Dimensional Boron Nanostructures, H-Bn Sheet With Graphene Domains And Holey Graphene., Cherno Baba Kah
Electronic Theses and Dissertations
This dissertation will explore the potential of a semi-empirical Hamiltonian, developed by the research group at the University of Louisville, in predicting the existence of new families of low-dimensional boron nanostructures based on icosahedral α-B12 clusters, and in tuning the band gaps of h-BN sheets with graphene domains and holey graphene. This semi-empirical Hamiltonian models electron-electron and electron-ion interactions using environment-dependent (ED) functions, and ion-ion interactions via usual pairwise terms. Additional features of our approach are that it uses a linear combination of atomic orbitals (LCAO) framework to describe the Hamiltonian and it calculates the charge distribution around a …
Synthesis, Characterization, And Electronic Properties Of Novel 2d Materials : Transition Metal Dichalcogenides And Phosphorene., George Anderson
Synthesis, Characterization, And Electronic Properties Of Novel 2d Materials : Transition Metal Dichalcogenides And Phosphorene., George Anderson
Electronic Theses and Dissertations
Scaling electronic devices has become paramount. The current work builds upon scaling efforts by developing novel synthesis methods and next generation sensing devices based on 2D materials. A new combination method utilizing thermal evaporation and chemical vapor deposition was developed and analyzed to show the possibilities of Transition Metal Dichalcogenide monolayers and heterostructures. The materials produced from the above process showed high degrees of compositional control in both spatial dimensions and chemical structure. Characterization shows controlled fabrication of heterostructures, which may pave the way for future band gap engineering possibilities. In addition, Phosphorene based field effect transistors, photodetectors, and gas …