Search results for "Metals"
showing 10 items of 2013 documents
Advanced fragmentation stage of oxide coating on polymer substrate under biaxial tension
2005
Crack patterns of 100-nm-thick silicon oxide coating on polypropylene film subjected to equibiaxial stress loading are studied experimentally. The loading is achieved by means of a bulging cell mounted under an optical microscope with stepwise pressurization of film specimens. The evolution of the coating fragment area distribution at relatively high strains is modeled using Weibull statistics to describe the coating strength. The fragment area distribution at an advanced fragmentation stage is shown to scale with the average fragment area, the latter being a power function of the applied biaxial strain.
Structure and diffusion of oxygen and silicon interstitials in silicon
1999
Abstract Ab initio quantum chemical simulation of silicon interstitials and oxygen-related defects Oi, V–O2, and V–O4 in oxygen-containing silicon was performed using the embedded molecular cluster model. The defect geometry and electronic structure were studied. The migration activation energy for Oi defect was estimated as 2.73 eV at the atmospheric pressure, and 2.70, 2.68, and 1.92 eV for the lattice compressed by 0.25, 0.37, or 5.0 per cent, respectively. The activation energy of silicon interstitial is not changing with pressure. The molecular cluster used to simulate V–O4 defect with C2v symmetry was shown to have only slight deviation from D2d at atmospheric pressure, a strong devia…
Structural and in situ vibrational study of luminescent cluster assembled silicon thin films
2006
A Low Energy Cluster Beam Deposition apparatus is employed to produce cluster assembled silicon thin films (1-500 nm thick) by using a laser vaporization source. The generated clusters are studied since their formation through time of flight mass spectra and the calculated size in the gas phase are compared with those of the deposited aggregates obtained through Dynamic Scanning Force Microscopy. The deposited material is also studied "in situ" by Raman and infrared spectroscopy. The spectra reveal that the as deposited clusters are hydrogenated with negligible amount of oxide. A comparison of the film properties before and after their air exposure shows that the exposition induces a consis…
Reactivity of commercial silicon and silicides towards copper(I) chloride. Effect of aluminium, calcium and iron on the formation of copper silicide
1998
Abstract The reaction of CuCl with silicon, containing Al, Fe and Ca as impurities, or with silicides (Si2Ca, Si2Fe, Si2Al2Ca, Si8Al6Fe4Ca) has been investigated in the temperature range 200–300°C. For the reaction between CuCl and commercial Si, it was found that, at 282°C, aluminium promotes the reaction between Cu3Si and CuCl while the rate of consumption of Cu3Si is greatly reduced by the presence of iron. The combined action of these two impurities leads to the formation of more copper–silicon alloy. In the presence of mixed silicides, the reaction with CuCl also leads to the formation of Cu3Si. For the quaternary Al–Ca silicide containing iron the rate of formation of Cu3Si is not inc…
Surface preparation influence on the initial stages of MOCVD growth of TiO2 thin films
2006
In situ chemical surface analyses using X-ray photoelectron spectroscopy (XPS), completed by ex situ atomic force microscopy (AFM) analyses, were performed in order to compare the initial stages of MOCVD growth of TiO 2 thin films on two different surface types. The first type was a silicon native oxide free hydrogen terminated surface and the second one was a silicon dioxide surface corresponding to a thin layer of 3.5 nm thick in situ thermally grown on silicon substrate. Si(100) was used as substrate, and the growths of TiO 2 thin films were achieved with titanium tetraisopropoxide (TTIP) as precursor under a temperature of 675 °C, a pressure of 0.3 Pa and a deposition time of 1 h. Whate…
Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites
2021
Abstract The reaction of the antitumor M(I)-bis-N-heterocyclic carbene (M(I)-NHC) complexes, M = Cu, Ag, and Au, with their potential protein binding sites, i.e. cysteine and selenocysteine, was investigated by means of density functional theory approaches. Capped cysteine and selenocysteine were employed to better model the corresponding residues environment within peptide structures. By assuming the neutral or deprotonated form of the side chains of these amino acids and by considering the possible assistance of an external proton donor such as an adjacent acidic residue or the acidic component of the surrounding buffer environment, we devised five possible routes leading to the binding o…
Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons
2020
The authors are grateful for the financial support from: MICIU/FEDER/AEI, Spain (PG2018-101181-B-I00, PGC2018-095808B-I00, MAT2016-80826-R, FIP-2018-HECTIC-PTM, Prometeo2019/076 and the "Severo Ochoa" Programme for Centres of Excellence in R & D; SEV-2015-0496), the European Research Council (ERC) (677023), DGR (Catalunya) (2017-SGR-918), and SNSF (Switzerland, TS., PZ00P2_174175). We thank the CSIRC-Alhambra and SciCore (Basel, Switzerland) for supercomputing facilities and the Servei de RMN, UAB, for instrument time.
Mechanisms for Translocation of Heavy Metals from Soil to Epigeal Mosses
2011
The mechanisms for translocation of heavy metals from soil to epigeal mosses were investigated. The first mechanism was demonstrated for (137)Cs and involved the uplifting of the pollutant-containing dust from the soil, followed by the local secondary deposition on surfaces of epigeal mosses and epiphytic lichens. The second mechanism involved the diffusion of metal cations from the soil through water wetting the moss into the gametophyte. The mechanism was demonstrated by measuring the electric conductance of wetted gametophytes with single ends immersed in solutions of Cu and Na salts. In addition, the concentrations of Cu and Cd were compared in moss samples exposed to the natural soil a…
State selective electron injection in non-aggregated titanium phthalocyanine sensitised nanocrystalline TiO2 films
2004
We describe a novel titanium phthalocyanine that shows no aggregation when anchored to nanocrystalline TiO2 films through its axial carboxylated ligand without the use of co-adsorbents; state selective electron injection into the TiO2 is demonstrated, resulting in efficient photocurrent generation in dye sensitised photoelectrochemical solar cells. Palomares Gil, Emilio J, epagil@alumni.uv.es
In vitro corrosion and biocompatibility of brushite/hydroxyapatite coatings obtained by galvanic deposition on 316LSS
2018
Corrosion behavior and cytotoxicity was reported for mixed brushite (BS)/hydroxyapatite (HA) coatings deposited on 316LSS substrate through a displacement reaction. Corrosion tests, carried out in a simulated body fluid, showed that in comparison with bare 316L, coating shifts Ecorrto anodic values and reduces icorreven if oscillations were observed, which were explained in terms of the chemical interactions at the solid/liquid interface. Cell biocompatibility of the coating was investigated through osteoblastic cell line MC3T3-E1, evidencing the absence of any cytotoxicity Taken together, the results show that galvanic deposition is a simple and cost-effective method for producing bioactiv…