We present a computationally efficient and predictive methodology for modeling the
formation and properties of electron and hole polarons in solids. Through a nonempirical …

The optical properties of titanium dioxide (TiO 2) in rutile, anatase and brookite phases were
investigated via density functional theory (DFT) framework. The Hubbard U term in Ti 3d …

Unexpected room temperature ferromagnetism (RTFM) in nonmagnetic metal oxide
nanoparticles have been reported previously. This unconventional behaviour is primarily …

The zone-center phonons and the frequency-dependent dielectric function of the brookite
phase of TiO2 are studied experimentally by means of polarized Raman and infrared …

Oxygen vacancies are introduced into hydrothermally processed TiO 2 nanotube by vacuum
calcination. Formation of oxygen vacancies modifies the local coordination in TiO 2 as …

Here we report the magnetic properties of Fe doped TiO2 nanoparticles annealed in air and
vacuum. Fe doped TiO2 nanoparticles display paramagnetism during air annealing and …

We performed the electronic structure calculations of Cu-doped TiO2 nanotubes by using
density functional theory aided by the Hubbard correction (DFT+ U). Relative positions of the …

We report systematic ab initio calculations of the electronic band structure, phonon
dispersion relation, and the structural characterization of FeF 2 in the rutile (P 4 2/mnm) …

Thin layers of anatase titanium dioxide were coated on glass by spray pyrolysis method. The
layers were hydrogenated by DC plasma from room temperature up to 350° C. Hydrogen …

TiO2 thin films were prepared by the reactive magnetron cosputtering technique on the n-
type silicon substrates and annealed at different temperatures ranging from 110 to 250° C …