Objective(s): Adsorption of IMMUCILLIN-A (BCX4430) molecule on the pristine and N-doped TiO2 anatase nanoparticles were studied using the density functional theory (DFT) calculations. The adsorption energy analysis indicated that TiO2+IMMUCILLIN-A complexes including OC-substituted TiO2 have higher adsorption energy than the complexes with OT substituted TiO2, thus providing mo...

The photocatalytic behavior of titania coatings is largely determined by their crystalline structure. Depending on deposition conditions, though, titania may form amorphous, brookite, anatase or rutile structures, with anatase or anatase/rutile mixed phase structures showing the highest levels of activity. Anatase is activated by UV light and, consequently, there is a great deal of interest in ...

Anatase nanoparticles were synthesized from a titanium isopropoxide solution using a hydrothermal process at different pressures in an autoclave system while keeping the volume of the solution constant. As the autoclave pressure was increased from 1 to 71 atm (23 to 210 °C), the crystal size in the nanoparticles increased from 9 to 13.8 nm. The anatase nanoparticles were used to build dye-sensi...

The anatase form of TiO2 has been examined for the sensing of CO and CH4 at temperatures of 873 K. Though, there were differences in the sensitivity of the anatase sensor towards CO and CH4, both gases showed considerable resistance changes. However, in the presence of lanthanum oxide and copper oxide (labeled as ALC sensor), the sensor showed minimal response towards CH4, while still exhibitin...

the nanostructured anatase tio2 with high thermal stability was prepared by polymeric sol-gel method without any additives. the particle size distribution of polymeric titania sol was determined by dynamic light scattering (dls). then properties of obtained titania were investigated by tg-dta, xrd, fesem and tem. also, the decolorization capability of resultant anatase was evaluated using methy...

The prototypical photocatalyst TiO2 exists in different polymorphs, the most common forms are the anatase- and rutile-crystal structures. Generally, anatase is more active than rutile, but no consensus exists to explain this difference. Here we demonstrate that it is the bulk transport of excitons to the surface that contributes to the difference. Utilizing high -quality epitaxial TiO2 films of...

The influence of titanium dioxide nanoparticles (pure anatase and 15% N doped anatase) on the growth of Chlorella vulgaris, Haematococcus pluvialis, and Arthrospira platensis was investigated. Results showed that pure anatase can lead to a significant growth inhibition of C. vulgaris and A. platensis (17.0 and 74.1%, resp.), while for H. pluvialis the nanoparticles do not cause a significant in...

We use density functional theory to examine structure− activity relationships of small vanadia clusters supported on anatase TiO2(001) and rutile TiO2(110) surfaces. A thermodynamic analysis indicates that the vanadia monomer cluster can be stabilized on the anatase TiO2(001) surface in a catalytically relevant oxygen environment. On the other hand, vanadia clusters tend to aggregate into dimer...

In this study, the commercial TiO2 nanopowder and micropowder of anatase phase and rutile phase have been characterized by x-ray diffraction (XRD) and transmission electron microscopy (TEM). XRD patterns of nano-TiO2 in rutile and anatase phases exhibit broad peaks whereas both phases of micro-TiO2 demonstrate very sharp peaks. TEM images show that the grain size of TiO2 micropowders and TiO2 n...

A facile and efficient approach for the fabrication of mesoporous spherical aggregates of anatase nanocrystals is reported in this paper. Cetyltrimethylammonium bromide was used as the structure-directing agent, and the interaction between cyclohexane microdroplets and the cetyltrimethylammonium bromide self-assemblies led to the assembly of 4-5-nm-sized anatase nanocrystals into spherical aggr...