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Tailoring the structural properties and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles: DFTB calculations
Kurban, Hasan; Dalkılıç, Mehmet; Temiz, Selçuk; Kurban, Mustafa (Elsevier B.V., 2020)In this study, we perform a theoretical investigation using the density functional tight-binding (DFTB) approach for the structural analysis and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles ...