Defect Behaviors in Zinc Oxide and Zinc Titanates Ceramics from First Principles Computer Simulations
Description:
ZnO and ZnO-TiO2 ceramics have intriguing electronic and mechanical properties and find applications in many fields. Many of these properties and applications rely on the understanding of defects and defect processes in these oxides as these defects control the electronic, catalytic and mechanical behaviors. The goal of this dissertation is to systematically study the defects and defects behaviors in Wurtzite ZnO and Ilmenite ZnTiO3 by using first principles calculations and classical simulatio…
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Date:
December 2016
Creator:
Sun, Wei