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Effects of thermal treatment on the recovery of adsorbed water and photocatalytic activities of TiO(sub 2) photocatalytic systems

Article Abstract:

An investigation was carried out on the effects of thermal treatment on the rehydration process and photocatalytic activity by using (super 1)H NMR spectroscopy for six anatase abundant TiO(sub 2) photocatalysts with different properties. The results suggest that the most efficient photocatalytic sites should be the hydrophobic sites on the TiO(sub 2) surface.

Usage, Water, Nuclear magnetic resonance spectroscopy, Catalysis

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Derivation of force field parameters for TiO2 - H2O systems from ab initio calculations

Article Abstract:

Periodic (CASTEP and Dmol(super 3)) and cluster (Gaussian 98 and DMol(super 3)) ab initio calculations are carried out to develop force field parameters for the system Ti-O-H to model TiO2-H2O interfaces. The H-bond length between an adsorbed water molecule and the neighboring bridging oxygen is approximately 1.8 angstroms.

Science & research, Research, Hydrogen bonding, Hydrogen bonds, Surface chemistry

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