Search results for "bond"
showing 10 items of 3527 documents
Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study
2004
Abstract The DFT slab calculations were performed for Ag and Cu atoms adsorbed on both regular and defective MgO(0 0 1) substrates. Both metal atoms and surface O vacancies ( F s centers) were distributed uniformly with a concentration of one Ag, Cu or F s per 2×2 surface supercell. Surface O 2− ions are energetically more preferable for metal-atom adsorption on a regular substrate as compared to Mg 2+ ions. The nature of the interaction between Ag or Cu adatoms and a defectless MgO substrate is physisorption (despite the difference in the adsorption energies: 0.62 vs. 0.39 eV per Cu and Ag adatom, respectively). Above the F s centers, metal atoms are bounded much stronger when compared wit…
Minimal intervention in dentistry: Which is the best approach for silorane composite restoration repairs?
2021
Made available in DSpace on 2021-06-25T10:28:11Z (GMT). No. of bitstreams: 0 Previous issue date: 2021-04-01 Background: This study aimed to evaluate surface treatments, adhesives and composites for repairing silorane based restorations. Material and Methods: One hundred and twenty truncated cones (2 mm smaller diameter and 4 mm larger diameter) made of silorane composite were divided in 12 groups according with the surface treatment (diamond bur and oxide aluminum abrasion), the adhesive (Adper Scothbond Multipurpose (3M ESPE), Ecusit (Voco) and Filtek P90 Adhesive (3M ESPE)). Each group was subdivided in two according with the composite used for repair (methacrylate and silorane). The rep…
Microstructured electrodeposited polypyrrole–phthalocyanine hybrid material, from morphology to ammonia sensing
2012
Hybrid materials combining polypyrrole with ionic macrocycles as counterions are electrosynthesized at the surface of platinum interdigitated electrodes. The chemical composition of the hybrid films is characterized by infrared reflexion absorption spectroscopy (IRRAS) and glow discharge optical emission spectroscopy (GDOES) and their morphology is studied by a range of techniques such as optical topomicroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The obtained films reveal to be more homogeneous, with smaller crystallites, compared to polypyrrole synthesized with small counterions. Finally, the films exhibit a higher sensitivity to ammonia, with a very good…
Visible to vacuum-UV range optical absorption of oxygen dangling bonds in amorphous SiO2
2011
Synthetic silica glass with an optical absorption spectrum dominated by oxygen dangling bonds (nonbridging oxygen hole centers, or NBOHCs) and having negligible (1%) contribution from the usually copresent Si dangling bonds (E\ensuremath{'}-centers), was prepared by room temperature ultraviolet photobleaching of high SiOH content (``wet'') silica, irradiated by F${}_{2}$ laser (7.9 eV) at $T$ = 80 K. This allowed us to obtain the up-to-now controversial optical absorption spectrum of NBOHC in the ultraviolet and vacuum-ultraviolet (UV-VUV) region of the spectrum and to show that it is semicontinuous from 4 to 7.8 eV and cannot be represented by a pair of distinct Gaussian bands. Since NBOHC…
Covalent bonding and the nature of band gaps in some half-Heusler compounds
2005
Half-Heusler compounds \textit{XYZ}, also called semi-Heusler compounds, crystallize in the MgAgAs structure, in the space group $F\bar43m$. We report a systematic examination of band gaps and the nature (covalent or ionic) of bonding in semiconducting 8- and 18- electron half-Heusler compounds through first-principles density functional calculations. We find the most appropriate description of these compounds from the viewpoint of electronic structures is one of a \textit{YZ} zinc blende lattice stuffed by the \textit{X} ion. Simple valence rules are obeyed for bonding in the 8-electron compound. For example, LiMgN can be written Li$^+$ + (MgN)$^-$, and (MgN)$^-$, which is isoelectronic wi…
Mechanical behaviour and failure modes of metal to composite adhesive joints for nautical applications
2010
In this paper, the influence of several parameters on the mechanical behaviour and failure modes of hybrid bonded joints aluminium/composite was investigated. Particularly, the effects of metallic surface condition, adhesive properties and thickness on single-lap joint resistance were analysed. To these aims, two adhesives were used and, for each adhesive, two different adhesive thicknesses (0.5 and 1.5 mm) have been investigated. Furthermore, two sets of joints for each adhesive kind and thickness were investigated: the former was obtained using aluminium blanks which were previously mechanically treated with sandpaper (P60) and the latter using aluminium treated with sandpaper and with pr…
Effect of Chemical Etching on Adhesively Bonded Aluminum AA6082
2007
The efforts of new automotive industry are mainly directed towards the substitution of aluminum for steel in the body structure because the aluminum structures are lighter than traditional steel ones and meet the requirements, in terms of both vehicle design and manufacture. However, this substitution is not so automatic, but it is important to study the material properties and the structure design, focusing the attention on the methods of joining. Welding, typical technique to joint steel parts, is particularly difficult when applied on aluminum ones and then, in many cases, the adhesive bonding is preferred. To optimise the joint performances it is necessary to pre-treat the metal surface…
A shear test for structural adhesives used in the consolidation of old timber
2001
A test method was developed specifically for structural adhesives used in thick joints. It is based on compressive shear loading of glued joints (GJ) and solid wood (SW) specimens, before and after a suitable accelerated ageing cycle. The evaluation of results is based on the ratios of wet strength to dry strength and on the comparison of GJ specimens to SW specimens which are prepared from the same batch of wood, in order to minimise the influence of the variability in wood characteristics. On a group of 10 epoxy-based adhesives, specifically marketed for the consolidation of old timber structures, the method has proved to be effective to differentiate the performances of each product. Amo…
Au Adsorption on Regular and Defected Thin MgO(100) Films Supported by Mo
2007
Using density functional theory we studied systematically a Au atom adsorption on a Mo-supported regular and defected ultrathin MgO film with 1 to 5 ML thickness. On Mo(100) grown regular MgO Au prefers to adsorb at a hollow site instead of an O site found for single-crystal MgO. The metal support also enhances Au adsorption energy in agreement with the earlier theoretical results. Adsorption energy decreases with increasing film thickness being, however, even in the case of 5 ML thick MgO much higher than that on single-crystal MgO. The Bader analysis was performed to estimate the spatial distribution of charge in different cases. The results show charge transfer (0.7−0.8 e) to the Au atom…
High-resolution Raman spectroscopy of the ν1 region and Raman-Raman double resonance spectroscopy of the 2ν1-ν 1 band of 32SF6 and 34SF 6. Determinat…
2004
The ν1 region of 32SF6 and 34SF6 has been studied by stimulated Raman spectroscopy. For both isotopomers, a detailed analysis has been performed. Several hot bands (ν1+ν6-ν6, ν1+2ν 6-2ν6, ν1+ν5-ν 5) have been taken into account to calculate synthetic spectra that satisfactorily reproduce the experimental data. These results, together with the previous studies of the other fundamental bands have allowed us to determine the equilibrium bond length of sulfur hexafluoride as r e=1.5560(1) Å, in very good agreement with recent ab initio calculations. The 2ν1-ν1 band has also been studied for both isotopomers by Raman-Raman double resonance spectroscopy and the resulting spectra have been analyze…