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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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