Search results for "Photocatalytic"

Electronic and optical properties of pristine, N- and S-doped water-covered TiO2 nanotube surfaces

2019

For rational design and improvement of electronic and optical properties of water-splitting photocatalysts, the ability to control the band edge positions relative to the water redox potentials and the photoresponse as a function of environmental conditions is essential. We combine ab initio molecular dynamics simulations with ab initio many-body theoretical calculations to predict the bandgap and band edge energies, as well as the absorption spectrum of pristine and N- and S-doped TiO2 nanotubes using the DFT+U and G0W0 approaches. Both levels of theory show similar trends, and N+S-codoping appears to be the optimal system for photocatalytic water splitting both in dry and humid conditions…

Comparison between catalytic and catalytic photo-assisted propene hydration by using supported heteropolyacid

2012

Abstract Hybrid materials have been prepared by impregnation of the heteropolyacid H 3 PW 12 O 40 on commercial TiO 2 . The polyoxometalates (POM) amount deposited was 15, 30, 50 and 70% with respect to the weight of the TiO 2 support. Moreover two samples containing a POM amount of 15, and 50% with respect to the weight of SiO 2 were also prepared for the sake of comparison. All prepared samples were efficient catalysts for the hydration of propene to 2-propanol in gas–solid regime at atmospheric pressure and at temperatures ranging between 50 and 85 °C. The study carried out on the hybrid TiO 2 based materials evidenced that, as far as the catalytic activity is concerned, exists an optimu…

Photocatalytic Selective Oxidation of 5-(Hydroxymethyl)-2-furaldehyde to 2,5-Furandicarbaldehyde in Water by Using Anatase, Rutile, and Brookite TiO2…

2013

5-(Hydroxymethyl)-2-furaldehyde (HMF) was selectively oxidized to 2,5-furandicarbaldehyde (FDC) in; aqueous medium by using home prepared (HP) anatase, rutile, and brookite TiO2 nanoparticles. HP samples were prepared via a sol-gel method by using TiCl4 as the TiO2 precursor. Commercial TiO2 catalysts were also used for, comparison. All samples were characterized by BET specific surface area, XRD, TGA, and SEM, and the reactivity results showed that HP catalysts are predominantly amorphous and give rise to selectivities toward FDC more than twice that of commercial and well crystallized catalysts.

ZnO/ZnS heterostructures for hydrogen production by photoelectrochemical water splitting

2016

This work studies the photoelectrochemical behavior of novel ZnO/ZnS heterostructures obtained by means of anodization in water and glycerol/water/NH4F electrolytes with different Na2S additions under controlled hydrodynamic conditions. For this purpose different techniques such as Field Emission Scanning Electronic Microscopy (FE-SEM) with EDX, Raman spectroscopy and photoelectrochemical water splitting tests under standard AM 1.5 conditions have been carried out. The obtained results showed that the hydrodynamic conditions promoted an ordered nanotubular morphology which facilitates electron-hole separation and consequently, the photoelectrochemical activity for water splitting is enhance…

Polymer leaf of expanded material coated with titanium dioxide exhibiting photocatalytic activity, container and package for foodstuffs obtained from…

2010

Special needs and characteristic features of (photo)catalytic reactors with a review of the proposed Solutions

2019

Abstract In the present chapter, the analogies between photocatalytic systems and the systems where the more common thermally activated reactions take place are highlighted. The objective is to propose a unified approach for the analysis and the design, which, however, must take into account how and why photocatalytic reactors differ from reactors with thermal reactions. The necessity of absorbing photons to activate the photocatalytic process adds complexity to the system, but some approaches are presented to simplify the problems and make easier their solution.

Strategy assessment to mediate between purification targets and bromate production during purification of bromide containing water by means of photoc…

2013

Effects of weathering on the performance of self-cleaning photocatalytic paints

2019

Abstract The use of photocatalytic products for the surface coating of buildings is spreading more and more, because of the reduction of atmospheric pollutants and the colour maintenance of the paints over time with reduction of the maintenance costs and the improvement of the aesthetic appearance. The study reports the evaluation of the effects of the atmospheric conditions on three commercial photocatalytic paints containing TiO2. In particular tests were carried out by using samples subjected to accelerated aging inside a climate chamber and naturally aged by exposure for two years to the external environment of the city of Palermo (representative of a coastal environment of the Mediterr…

Photocatalytic processes in membrane reactors

2017

Photocatalytic membrane reactors (PMRs) represent an interesting alternative technology useful both in the field of water and air purification and in organic syntheses. The necessity to develop chemical products and industrial processes that reduce or eliminate the use and the generation of toxic substances along with the risk for human health and for environment constitutes the aim of the research efforts based on the principles of green chemistry. Heterogeneous photocatalysis is a technology extensively studied for about three decades, since Fujishima and Honda1 discovered the photocatalytic splitting of water on TiO2 electrodes in 1972, which includes a large range of reactions. When a s…

Monazite-type SrCrO4 under compression

2016

We report a high-pressure study of monoclinic monazite-type SrCrO4 up to 26 GPa. Therein we combined x-ray diffraction, Raman and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO4 near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO4-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO4. We determined the pressure evolution of the band gap for the low-pressure and high-pressure phases as well as the frequencies an…