Tuning the band gap of M-doped titanate nanotubes (M = Fe, Co, Ni, and Cu): an experimental and theoretical study
Melissa Méndez-Galván, Christian A. Celaya, Oscar Andrés Jaramillo‐Quintero, Jesús Muñiz, Gabriela Díaz, Hugo A. Lara-García
Abstract
) on the electronic, optical and structural properties, semiconductors were analyzed by a combination of experimental methods and density functional theory (DFT) calculations. The nanotube band gap can be modified from 1.5 to 3.3 eV, which opens the possibility to use them in several optoelectronic applications such as photocatalysts under solar light irradiation.
Topics & Concepts
Materials scienceDopingBand gapDensity functional theorySemiconductorTitanateProtonationNanotechnologyIonOptoelectronicsComputational chemistryChemistryOrganic chemistryComposite materialCeramicAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And PropertiesFerroelectric and Piezoelectric Materials