Search results for "Anatase"
showing 10 items of 155 documents
Photocatalytic Degradation of 4-Nitrophenol in Aqueous Suspension by Using Polycrystalline TiO2 Impregnated with Lanthanide Double-Decker Phthalocyan…
2007
The photocatalytic activity of polycrystalline TiO2 samples impregnated with rare-earth-metal diphthalocyanines was investigated. The 4-nitrophenol (4-NP) photocatalytic degradation in aqueous suspension was used as a probe reaction. Commercial anatase TiO2 was impregnated with home-prepared double-decker phthalocyanine complexes of the lanthanide metals, such as Ce, Pr, Nd, Sm, Ho, and Gd. In particular, the impregnation with Ho, Sm, and Nd complexes, acting as sensitizers, proved beneficial for the photoactivity of the studied systems. Significant improvements of the TiO2-based catalytic system appeared possible in terms of lower impregnation loading, enhanced photoreactivity under solar …
Photocatalytic activity of nano and microcrystalline TiO2 hybrid systems involving phthalocyanine or porphyrin sensitizers
2011
Hybrid photocatalysts based on TiO(2)-anatase matrix, representing the both micro- and nano-structures, impregnated with selected lanthanide diphthalocyanine and metalloporphyrin sensitizers, were compared to evaluate their activity and effectiveness in a water suspension catalytic system designed to degrade 4-nitrophenol (4-NP) in a UV-stimulated reaction. Either type of the anatase catalyst was proved to be effective in mineralizing of 4-NP. However, kinetic studies confirmed that the composite's efficiency basically depends on the nature of the macromolecular sensitizer and to a minor extent on the dimensions (micro/nano) of the TiO(2) particles. The apparent higher activity observed for…
Influence of sol counter-ions on the visible light induced photocatalytic behaviour of TiO2 nanoparticles
2014
Titanium dioxide (TiO2) nanoparticles are attracting increasing interest because of their superior photocatalytic and antibacterial properties. Here, aqueous titanium oxy-hydroxide sols were made, using a green synthesis method, from the controlled hydrolysis/peptisation of titanium isopropoxide. Three different mineral acids were used to peptise the sol (HNO3, HBr and HCl), and provide counter-ions. The influence of nitrate or halide sol counter-ions on size distributions of the starting sols were measured via photon correlation spectroscopy (PCS). Semi-quantitative phase composition analysis (QPA), on the gels thermally treated at 450 and 600 degrees C, was carried out via Rietveld refine…
Heterogeneous Photocatalysis and Photoelectrocatalysis: From Unselective Abatement of Noxious Species to Selective Production of High-Value Chemicals
2015
Heterogeneous photocatalysis and photoelectrocatalysis have been considered as oxidation technologies to abate unselectively noxious species. This article focuses instead on the utilization of these methods for selective syntheses of organic molecules. Some promising reactions have been reported in the presence of various TiO2 samples and the important role played by the amorphous phase has been discussed. The low solubility of most of the organic compounds in water limits the utilization of photocatalysis. Dimethyl carbonate has been proposed as an alternative green organic solvent. The recovery of the products by coupling photocatalysis with pervaporation membrane technology seems to be a…
The role of water in the photocatalytic degradation of acetonitrile and toluene in gas-solid and liquid-solid regimes
2006
Photocatalytic degradation of acetonitrile and toluene was carried out both in gas-solid and in liquid-solid regimes by using commercialTiO2samples (Merck and Degussa P25). The investigation was mainly aimed to study the influence of water present in the reaction environment on the mechanism and degradation rate of two probe molecules. In gas-solid regime, the reacting mixture consisted of toluene or acetonitrile, oxygen, nitrogen, and water vapour. The main degradation product of toluene wasCO2with small amounts of benzaldehyde. In the presence of water vapour, the activity ofTiO2Merck remained stable but greatly decreased if water was absent.TiO2Degussa P25 continuously deactivated, even …
Influence of platinum on catalytic activity of polycrystalline WO3 employed for phenol photodegradation in aqueous suspension
1998
Abstract A series of polycrystalline WO3 solids loaded with platinum (0.5; 1.0; 2.0 and 3.0 wt%) were prepared and characterised by X-ray diffraction, diffuse reflectance spectroscopy, scanning electron microscopy, specific surface areas determination, X-ray photoelectron spectroscopy. XPS and X-ray results indicate that the samples loaded with Pt up to 1 wt% contained on the surface mainly Pt(2+) species, while those loaded with higher amounts contained Pt(0). Moreover, the samples were employed for a probe reaction, i.e. phenol photooxidation in aqueous suspension, and their photoactivity was compared with that of two TiO2 commercial samples, mainly in the anatase phase. All the Pt–WO3 sa…
Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications
2021
This research was funded by the Latvian Council of Science grant LZP-2018/2-0083. Institute of Solid State Physics, University of Latvia, as the Center of Excellence, has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.
Titania nanotubes modeled from 3- and 6-layered (101) anatase sheets: Line group symmetry and comparative ab initio LCAO calculations
2010
Abstract The formalism of line groups for one-periodic (1D) nanostructures with rotohelical symmetry has been applied for construction of TiO 2 nanotubes (NTs). They are formed by rolling up the stoichiometric two-periodic (2D) sheets cut from the energetically stable (1 0 1) anatase surface, which contains either six (O–Ti–O_O–Ti–O) or three (O–Ti–O) layers. After optimization of geometry the former keeps the centered rectangular symmetry of initial slab while the latter is spontaneously reconstructed to the hexagonal fluorite-type (1 1 1) sheet. We have considered the four sets of TiO 2 NTs with optimized 6- and 3-layered structures, which possess the two pairs of either anatase (− n , n …
Ab initio calculations of doped TiO2 anatase (101) nanotubes for photocatalytical water splitting applications
2016
Abstract TiO 2 (titania) is one of the promising materials for photocatalytic applications. In this paper we report on recently obtained theoretical results for N and S doped, as well as N+S co-doped 6-layer (101) anatase nanotube (NT). First principles calculations in our study have been performed using a modified B3LYP hybrid exchange-correlation functional within density functional theory (DFT). Here we discuss the energy of defect formation mechanism and electronic band structure for nanotubes under study. We also report on influence of dopant concentration on the NT's band structure and discuss the defect–defect interactions.
Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach
2018
We use ab initio molecular dynamics simulations to study the adsorption of thin water films with 1 and 2 ML coverage on anatase TiO2 (001) nanotubes. The nanotubes are modeled as 2D slabs, which consist of partially constrained and partially relaxed structural motifs from nanotubes. The effect of anion doping on the adsorption is investigated by substituting O atoms with N and S impurities on the nanotube slab surface. Due to strain-induced curvature effects, water adsorbs molecularly on defect-free surfaces via weak bonds on Ti sites and H bonds to surface oxygens. While the introduction of an S atom weakens the interaction of the surface with water, which adsorbs molecularly, the presence…