Search results for "Surface pH"
showing 10 items of 26 documents
Ab initiocalculations of BaTiO3(111) surfaces
2013
The article presents the results of calculations of polar (111) surface relaxations and energetics using the ab initio code CRYSTAL and a hybrid description of exchange and correlation. Using a hybrid B3LYP approach, the surface relaxation has been calculated for the two possible Ti and BaO3 BaTiO3 (111) surface terminations. For both Ti- and BaO3-terminated BaTiO3 (111) surfaces, the upper layer atoms relax inward. The second layer atoms, with the sole exception of Ti-terminated BaTiO3 (111) surface Ba atom, relax outward. The calculated surface relaxation energy for Ti-terminated BaTiO3 (111) surface is more than two times larger than the surface relaxation energy for BaO3-terminated BaTi…
Surface phase transitions at O and CO catalytic reaction on Pd(111)
2006
Abstract The model has been proposed to simulate numerically the reaction O + CO → CO2 and occurring phase transitions on Pd(1 1 1) surface. We calculate the phase diagram for this system by kinetic Monte Carlo method. It shows the phase transitions p ( 2 × 2 ) O → 3 × 3 R 30 O ° and p ( 2 × 2 ) O → 3 × 3 R 30 O ° → p ( 2 × 1 ) O with increase of CO coverage for room and intermediate temperatures, respectively, while in the low temperature limit the direct p(2 × 2)O → p(2 × 1)O phase transition is observed. We demonstrate that the reaction rate is the crucial factor determining the occurrence of the p(2 × 1)O phase and vanishing of the 3 × 3 R 30 O ° with decrease of temperature. The result…
Experimental evidence on photo-assisted O$^-$ ion production from Al$_2$O$_3$ cathode in cesium sputter negative ion source
2020
The production of negative ions in cesium sputter ion sources is generally considered to be a pure surface process. It has been recently proposed that ion pair production could explain the higher-than-expected beam currents extracted from these ion sources, therefore opening the door for laser-assisted enhancement of the negative ion yield. We have tested this hypothesis by measuring the effect of various pulsed diode lasers on the O$^-$ beam current produced from Al$_2$O$_3$ cathode of a cesium sputter ion source. It is expected that the ion pair production of O$^-$ requires populating the 5d electronic states of neutral cesium, thus implying that the process should be provoked only with s…
Splitting of surface-related phonons in Raman spectra of self-assembled GaN nanowires
2012
cited By 2; International audience; Micro Raman spectroscopy studies have been performed on GaN nanowires grown by Plasma-Assisted Molecular Beam Epitaxy on Silicon (111) substrate. From the analysis of experimental data, the emergence of a two peaks band located near 700 cm-1 has been attributed to the Raman scattering by surface-related phonons. We have analyzed the surface character of these two modes by changing the dielectric constant of the exterior medium and some experimental parameters. Furthermore, a theoretical model describing the nanowires ensemble by means of an effective dielectric function has been used to interpret the Raman scattering results. Those numerical simulations a…
Specificity and Restriction of T Cells in a System of Complementing Ir Genes
1983
The phenomenon of Ir gene control of immune responsiveness is intimately related to the fact that antigen-specific stimulation of T cells with the Lyt-1 surface phenotype requires the simultaneous recognition of both external antigen and Ia antigen on the surface of antigen-presenting cells. There is increasing evidence indicating that Ia antigens encoded for by the I-A and I-E/C subregions of the H-2 complex represent the products of Ir genes.
Magneto-optical Investigations of Nanostructured Materials Based on Single Molecule Magnets Monitor Strong Environmental Effects
2007
The determination of the magnetic properties of molecular magnets in environments similar to those used in spintronic devices is fundamental for the development of applications. Single-molecule magnets (SMMs) are molecular cluster systems that display magnetic hysteresis of dynamical origin at low temperature. As they behave like perfectly monodisperse nanomagnets and show clear macroscopic quantum effects in their magnetic properties, they are extremely appealing candidates for the forthcoming generation of molecular devices: they have been proposed as efficient systems for quantum computation, ultra-high-density magnetic recording media, and molecular spintronic systems. These attractive …
Influence of mass transport on the competition between corrosion of aluminium alloy surface and the release of primer containing inhibitors : validat…
2014
The conventional aircraft paint scheme for corrosion protection of aluminum structures is partly based on application of a primer containing inhibitors. In such coatings, release of the inhibiting species enables fast healing of a bare metal surface after a mechanical damage of the protective layers. Nevertheless, considering possible depletion of inhibitors by uncontrolled leaching, it appears important to estimate the corrosion risk integrating “corrosion” sensors in the structure. The objective of this work was to understand the operating mode of a sensor simulating a damaged paint coating whose concept is based on the competition between the triggering of localized corrosion and the pas…
Ab InitioCalculations of the Atomic and Electronic Structure of SrZrO3(111) Surfaces
2012
The paper presents and discusses the results of calculations of surface relaxations and energetics for the polar (111) surface of SrZrO3 using a hybrid B3LYP description of exchange and correlation. On the (111) surface, I consider both Zr- and SrO3-terminations. For both Zr and SrO3-terminated SrZrO3 (111) surfaces upper layer atoms relax inwards. The second layer atoms, with the sole exception of Zr-terminated SrZrO3 (111) surface Sr atom, relax outwards. The calculated surface relaxation energy for Zr-terminated SrZrO3 (111) surface is almost sixteen times larger, than the surface relaxation energy for SrO3-terminated SrZrO3 (111) surface. The surface energy for Zr-terminated SrZrO3 (111…
Optical, infrared and electron-microscopy studies of metallic clusters in layered crystals
2007
Abstract An influence of ( Cd i ) n metallic clusters on the optical absorption and phonon spectra of CdI 2 crystals was studied. Metallic clusters of spherical shape were formed during the growth of non-stoichiometric crystals. Radii of clusters are in range from 10 to 500 nm according to scanning electron microscopy (SEM) data. The density of clusters was estimated from fractal dimension calculations. The fractal dimension of ( Cd i ) n clusters has been found to be varied from 1.488 to 1.793. In the framework of Mie theory the spectral and size dependencies of extinction coefficients were calculated. From the experimentally obtained spectra it is evident that the metallic clusters are re…
An assessment of the human nail plate pH.
2010
<i>Purpose of Study:</i> To measure the pH of the surface of healthy nail plates. <i>Procedures:</i> The surface pH of human fingernails and big toenails was measured in vivo using a skin pH meter. The influence of washing, anatomical site (fingers/toes), side (left/right), digit (digits 1–5) and gender was determined. The pH of the nail interior was also measured. <i>Results:</i> The pH of the nail plate surface was around 5, with toenails having a significantly higher pH than fingernails. Immediately after hand washing, the nail surface pH increased significantly, from pH 5.1 ± 0.4 to 5.3 ± 0.5. However, this was not sustained with time, and the pH retu…