Search results for "Point of zero charge"
showing 10 items of 10 documents
Preparation of polycrystalline TiO2 photocatalysts impregnated with various transition metal ions : characterization and photocatalytic activity for …
2002
A set of polycrystalline TiO2 photocatalysts loaded with various ions of transition metals (Co, Cr, Cu, Fe, Mo, V, and W) were prepared by using the wet impregnation method. The samples were characterized by using some bulk and surface techniques, namely X-ray diffraction, BET specific surface area determination, scanning electron microscopy, point of zero charge determination, and femtosecond pump-probe diffuse reflectance spectroscopy (PP-DRS). The samples were employed as catalysts for 4-nitrophenol photodegradation in aqueous suspension, used as a probe reaction. The characterization results have confirmed the difficulty to find a straightforward correlation between photoactivity and si…
Surface characterisation of metal ions loaded TiO2 photocatalysts: structure–activity relationship
2004
Abstract Transition metal loaded TiO 2 powders were characterised and tested for the photodegradation of some organic acids. Both Lewis and Bronsted surface acid sites were present in the samples containing large amounts of Mo, V and W. The Bronsted sites are associated to the presence of the transition metals as they do not exist in the unloaded support, and in particular to the presence of these metals in high oxidation states. The trend of the pzc values of the various powders matches rather well both with the surface acidity of the samples experimentally determined by NH 3 adsorption and with a scale of acidity/basicity for bulk binary oxides. XPS investigation indicates that only the p…
Adsorption of the herbicide 4-chloro-2-methylphenoxyacetic acid (MCPA) by goethite.
2014
Interaction between the goethite surface and 4-chloro-2-methylphenoxyacetic acid (MCPA) herbicide was studied using density functional theory (DFT) calculations combined with molecular dynamics (MD). The important step made here lies in the use of a periodic DFT method enabling the study of a mineral surface of different protonation states, in strong contrast with previous molecular modeling studies limited to single protonation state corresponding to the point of zero charge. Different surface OH groups and MCPA proton states were used to mimic the strong effects of pH on the outer- and inner-sphere surface complexes that are theoretically possible, together with their binding energies, an…
Variation of the Fermi level and the electrostatic force of a metallic nanoparticle upon colliding with an electrode.
2017
When a metallic nanoparticle (NP) comes in close contact with an electrode, its Fermi level equilibrates with that of the electrode if their separation is less than the cut-off distance for electron tunnelling. In the absence of chemical reactions in solution, the charge on the metallic nanoparticle is constant outside this range before or after the collision. However, the double layer capacitances of both the electrode and the NP are influenced by each other, varying as the function of distance. Because the charge on the nanoparticle is constant, the outer potential of the metallic NP and hence its Fermi level varies as the capacitance changes. This effect is more pronounced for small part…
Silicic acid competes for dimethylarsinic acid (DMA) immobilization by the iron hydroxide plaque mineral goethite.
2015
Abstract A surface complexation modeling approach was used to extend the knowledge about processes that affect the availability of dimethylarsinic acid (DMA) in the soil rhizosphere in presence of a strong sorbent, e.g., Fe plaques on rice roots. Published spectroscopic and molecular modeling information suggest for the organoarsenical agent to form bidentate-binuclear inner-sphere surface complexes with Fe hydroxides similar to the inorganic As oxyanions. However, since also the ubiquitous silicic acid oxyanion form the same bidentate binuclear surface complexes, our hypothesis was that it may have an effect on the adsorption of DMA by Fe hydroxides in soil. Our experimental batch equilibr…
Towards the ultimate minimum particle diameter of silica packings in capillary electrochromatography.
2000
Porous silica beads with an average particle diameter between 0.2 and 3 microm have been applied as packing material in capillary electrochromatography (CEC). The experiments were directed to investigate whether it is really feasible and as promising as expected to use such small particles. In CEC, plate heights of H approximately/= 1-2 d(p) can be achieved which is smaller than the plate heights usually attained in high-performance liquid chromatography. Using a capillary packed with 0.5 microm silica beads we achieved a plate height of H = 3 d(p) indicating the presence of dispersive effects like Joule heating. Calculations demonstrate that at a field strength of about 800 V cm(-1) one th…
Photoassisted Mineralization of Aromatic and Aliphatic N Heterocycles in Aqueous Titanium Dioxide Suspensions and the Fate of the Nitrogen Heteroatoms
2008
Abstract The photoassisted degradation of aromatic heterocycles (pyrrole, imidazole, pyrazole, isoxazole, oxazole and thiazole) and N-containing alicycles (aliphatic heterocycles: pyrrolidine, 4-butanelactam and 5-pentanelactam) was examined in liquid–solid dispersions. Complete mineralization (TOC) of the aromatic heterocycles was attained within ca. 1 h of UV irradiation of the TiO 2 /heterocycle system in acidic (pH 3), near-neutral (pH 6.0–7.6) and alkaline (pH 11) media. Mineralization kinetics were, in general, not appreciably influenced by the presence of acid but tended to be somewhat slower in alkaline media. N-alicycles were photomineralized more slowly than were the aromatics. Th…
Size dependent surface charging of nanoparticles
2008
International audience; Experimental interest in the possible curvature dependence of particle charging in electrolyte solutions is subjected to theoretical analysis. The corrected Debye−Hückel theory of surface complexation (CDH-SC) and Monte Carlo (MC) simulation are applied to investigate the dependence of surface charging of metal oxide nanoparticles on their size. Surface charge density versus pH curves for spherical metal oxide nanoparticles in the size range of 1−100 nm are calculated at various concentrations of a background electrolyte. The surface charge density of a nanoparticle is found to be highly size-dependent. As the particle diameter drops to below 10 nm there is considera…
A set-up for simultaneous measurement of second harmonic generation and streaming potential and some test applications.
2018
We present a measurement cell that allows simultaneous measurement of second harmonic generation (SHG) and streaming potential (SP) at mineral-water interfaces with flat specimen that are suitable for non-linear optical (NLO) studies. The set-up directly yields SHG data for the interface of interest and can also be used to obtain information concerning the influence of flow on NLO signals from that interface. The streaming potential is at present measured against a reference substrate (PTFE). The properties of this inert reference can be independently determined for the same conditions. With the new cell, for the first time the SHG signal and the SP for flat surfaces have been simultaneousl…
Photocatalytic degradation of organic compounds in aqueous systems by transition metal doped polycrystalline TiO2
2002
Abstract Some probe catalytic photooxidation reactions with aliphatic and aromatic organic compounds having different acid strengths, i.e. methanoic acid, ethanoic acid, benzoic acid and 4-nitrophenol, were carried out in aqueous systems by using polycrystalline TiO2 powders doped with various transition metal ions (Co, Cr, Cu, Fe, Mo, V and W). The Co-doped powder showed to be more photoactive than the bare TiO2 for methanoic acid degradation while the behaviour of TiO2/Cu and TiO2/Fe was similar to that of the support. TiO2/W was the most efficient sample for the photodegradation of benzoic acid and 4-nitrophenol, TiO2 the most active powder for ethanoic acid. A tentative explanation is p…