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Tailoring the structural properties and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles: DFTB calculations

Hasan Kurban, Mehmet Dalkılıç, Selçuk Temiz, Mustafa Kurban

2020Computational Materials Science42 citationsDOI

Topics & Concepts

BrookiteAnataseRutileMaterials sciencePhase (matter)Band gapNanoparticleFermi levelChemical physicsCrystallographyNanotechnologyPhotocatalysisChemistryOrganic chemistryPhysicsCatalysisOptoelectronicsQuantum mechanicsElectronAdvanced Photocatalysis TechniquesTiO2 Photocatalysis and Solar CellsCopper-based nanomaterials and applications
Tailoring the structural properties and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles: DFTB calculations | Litcius