New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase TiO2

Article Abstract:

The spin-polarized plane-wave pseudopotential method, based on density-functional theory, is used to calculate the electronic band structures and the optical absorption spectra of nitrogen-doped and oxygen-deficient anatase TiO2. The results show that the optical absorption of nitrogen-doped TiO2 in the visible light region is primarily located between 400 and 500 nm, while that of oxygen-deficient TiO2 is mainly above 500 nm.

Taiwan, Nuclear polarization, Stoichiometry, Polarization (Nuclear physics)

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Reactions of trimethylindium on TiO2 nanoparticles: Experimental and computational study

Article Abstract:

The adsorption and reactions of trimethylindium (TMIn) on 15-20 nm TiO2 nanoparticle films are investigated using Fourier transform infrared (FTIR) experiments aided by first-principle calculations. The computed energies with vibrational analysis shows that the adsorbed structure of the carboxyl group involves two oxygen atoms doubly adsorbed on two surface Ti atoms.

Georgia, Fourier transform infrared spectroscopy

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Adsorption and photodegradation of dimethyl methylphosphonate vapor at TiO2 surfaces

Article Abstract:

The adsorption and degradation of the nerve agent simulant dimethyl methylphosphonate (DMMP) over UV irradiated TiO2 powders and thin films are investigated. Adsorption of vapor-phase DMMP on TiO2 powder is characterized by diffuse reflectance infrared Fourier transform infrared spectroscopy.

Decomposition (Chemistry)

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