Search results for "Adsorption"
showing 10 items of 1326 documents
Preparation and characterization of organofunctionalized bentonite clay bearing aminophosphonic groups in heavy metal uptake
2019
Abstract Bentonite (Bnt) with covalently immobilized N-propylaminodi(methylenephosphonic) groups (Bnt-ADPA) was obtained through a two-step synthesis including aminosilanization and phosphorylation of resulting aminobentonite through Moedritzer-Irani reaction. The grafting of an aminosilane layer in the interplanar space of the bentonite was investigated by XRD, and the presence of N and P-containing groups was confirmed by FTIR, 31P and 29Si MAS NMR. The immobilization of the organic functional groups increased the interplanar distance in bentonite matrix at 52% that essentially improved filtration properties compared to raw bentonite. The number of surface acid groups was evaluated to 0.8…
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…
Phase analysis and oxygen strorage capacity of ceria-lanthana-based TWC promoters prepared by sol-gel routes
2002
Ceria–lanthana-based promoters of three-way catalysts are synthesized by two different sol–gel routes, involving nitrate precursors. The oxygen uptake ability of these compounds is measured by O2 chemisorption. The specific surface area is determined by N2 adsorption (BET). X-ray diffraction data are analyzed by Rietveld refinement, demonstrating that lanthanum forms solid solution with CeO2; its total amount in ceria depends on the competitive formation of La–Al mixed oxides and on the synthetic method. The O2 uptake ability is essentially determined by the La content in the ceria–lanthana solid solution, while it is independent on the surface area and on the CeO2 particle size. The O2 upt…
Physicochemical Investigation of Lightfast AgCl and AgBr Nanoparticles Synthesized by a Novel Solid−Solid Reaction
2003
Small size AgX (X = Br, Cl) nanoparticles have been synthesized by a novel solid−solid reaction performed by mixing two dry dispersions of AgNO3 and KX nanoparticles in AOT/n-heptane solutions. UV−vis investigation ascertained that formation of nanosized particles taking place after the mixing process is fast and complete. Microcalorimetric measurements of the thermal effect coupled with the mixing process suggest the occurrence of confinement effects and adsorption of the surfactant molecules at the nanoparticle surface, hinting at formation of charged nonstoichiometric surfactant-coated nanoparticles. The analysis of SAXS spectra shows that salt-containing AOT reversed micelles are slight…
Adsorption and activation of O2 at Au chains on MgO/Mo thin films
2010
We have investigated the adsorption of O(2) on Au(n) clusters (n = 1-6) supported by an ultra thin (3ML)MgO(001) film on Mo metal via density functional theory calculations. On thin films, these small clusters have chain like structures and their electronic states resemble 1D quantum well states. The Au(1-3) are charged by one electron whereas the larger Au(4-6) get two electrons from the substrate. This is confirmed both by the symmetries of the HOMO and LUMO states of the clusters and the Bader charge analysis. In contrast to the O(2) adsorption on gas-phase clusters, the adsorption energy of O(2) molecule does not show pronounced oscillations as a function of cluster size. The O(2) is ac…
Molecular Dynamics of CH
2019
We theoretically investigate graphene layers, proposing them as membranes of subnanometer size suitable for CH4/N2 separation and gas uptake. The observed potential energy surfaces, representing the intermolecular interactions within the CH4/N2 gaseous mixtures and between these and the graphene layers, have been formulated by adopting the so-called Improved Lennard-Jones (ILJ) potential, which is far more accurate than the traditional Lennard-Jones potential. Previously derived ILJ force fields are used to perform extensive molecular dynamics simulations on graphene's ability to separate and adsorb the CH4/N2 mixture. Furthermore, the intramolecular interactions within graphene were explic…
Direct observation of the electroadsorptive effect on ultrathin films for microsensor and catalytic-surface control.
2013
Microchemical sensors and catalytic reactors make use of gases during adsorption in specific ways on selected materials. Fine-tuning is normally achieved by morphological control and material doping. The latter relates surface properties to the electronic structure of the bulk, and this suggests the possibility of electronic control. Although unusual for catalytic surfaces, such phenomena are sometimes reported for microsensors, but with little understanding of the underlying mechanisms. Herein, direct observation of the electroadsorptive effect by a combination of X-ray photoelectron spectroscopy and conductivity analysis on nanometre-thick semiconductor films on buried control electrodes …
Semiconducting Clathrates Meet Gas Hydrates: Xe24[Sn136]
2014
Semiconducting Group 14 clathrates are inorganic host–guest materials with a close structural relationship to gas hydrates. Here we utilize this inherent structural relationship to derive a new class of porous semiconductor materials: noble gas filled Group 14 clathrates (Ngx[M136], Ng=Ar, Kr, Xe and M=Si, Ge, Sn). We have carried out high-level quantum chemical studies using periodic Local-MP2 (LMP2) and dispersion-corrected density functional methods (DFT-B3LYP-D3) to properly describe the dispersive host–guest interactions. The adsorption of noble gas atoms within clathrate-II framework turned out to be energetically clearly favorable for several host–guest systems. For the energetically…
Effect of the Al/Si atomic ratio on surface and structural properties of sol-gel prepared aluminosilicates
2003
Abstract A series of aluminosilicates with an Al/Si ratio ranging from 0 to ∞ (0 for pure silica and ∞ for pure alumina) was prepared by sol–gel process and characterized by surface and structure techniques. Aluminum tri sec butoxide and tetramethylorthosilicate were used as precursors for the sol–gel synthesis. The acidic properties of the oxides were studied by determination of the zero point charges, through mass titration method, and, for selected samples, by FT-IR spectroscopy of adsorbed pyridine used as a probe for both Bronsted and Lewis acidity. A dependence of the acidity on the Al/Si atomic ratio was found. According to the X-ray diffraction patterns, all the oxides have an amorp…
Thiolate Adsorption on Au(hkl) and Equilibrium Shape of Large Thiolate-covered Gold Nanoparticles
2013
The adsorption of thiolates on Au surfaces employing density-functional-theory calculations has been studied. The dissociative chemisorption of dimethyl disulfide (CH3S−SCH3) on 14 different Au(hkl) is used as a model system. We discuss trends on adsorption energies, bond lengths, and bond angles as the surface structure changes, considering every possible Au(hkl) with h, k, l ≤ 3 plus the kinked Au(421). Methanethiolate (CH3S-) prefers adsorption on bridge sites on all surfaces considered; hollow and on top sites are highly unfavourable. The interface tensions for Au(hkl)-thiolate interfaces is determined at low coverage. Using the interface tensions in a Wulff construction method, we cons…