EPR investigation of TiO2 nanoparticles with temperature-dependent properties

Article Abstract:

An in situ electron paramagnetic resonance (EPR) investigation is carried out for anatase and rutile TiO2 nanoparticles at liquid helium (He) temperature under ultraviolet irradiation. Illumination of TiO2 powder at 4.2 K resulted in the detection of electrons being trapped at Ti(super 4+) sites within the bulk and holes trapped at lattice oxide ions at the surface and the stability of electron traps is sensitive to temperature in both phases of TiO2.

Irradiation, Optical properties, Electron paramagnetic resonance spectroscopy, Irradiation (Radiation exposure)

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Reactivity of anatase TiO2 nanoparticles: The role of the minority (001) surface

Article Abstract:

Methanol adsorption on clean and hydrated anatase TiO2(001)-1x1 is studied using density functional theory calculations and first principles molecular dynamic simulations. It is found that dissociative adsorption is favored on clean TiO2(001) at both low and high methanol coverages on the partially hydrated surface methanol dissociation is not affected by the coadsorbed water and can still occur very easily.

Gases, Molecular dynamics, Gas adsorption

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