Computational simulation-based study of novel ZnO Buckyball structures
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A novel Zinc Oxide Buckyball (ZnO-b) system has been optimized using the first principle density functional theory (DFT). The study of the structural, electronic, and optical properties of both the pristine and Al, Ga, and Ag-doped ZnO-b and ZnO-h (ZnO hexagon... ...
