Search results for "INTERFACE"
showing 10 items of 2139 documents
A Density Functional Theory study on gold cyanide interactions: The fundamentals of ore cleaning
2010
We have employed Density Functional Theory calculations to study the adsorption of CN, CN− and KCN on Au(111) and Au(211) surfaces and compare the obtained results to CO. The adsorption of CN, CN−, and KCN are exothermic with respect to the gas-phase moieties, and the adsorption energy increases at steps. Our results show that the binding mechanism of CN− is different from that of CO. The projected LDOS indicates that the bond between the flat surface and CN shows very small overlap between metal and CN states. This overlap increases provided that extra charge is present or low-coordinated Au atoms are available. Charge transfer is analyzed via the Bader method and the Electron Localization…
Investigation of water transfer across thin layer biopolymer films by infrared spectroscopy
2011
International audience; The investigation of the apparent diffusivity of water in thin layer iota-carrageenan-based films by FTIR-ATR spectroscopy clearly evidences the fundamental role of surface properties on water transfer. Water diffusivity in iota-carrageenan based biopolymer films ranges from 0.3 to 1.3 × 10−10 m2 s−1 and is thus 10–100 times lower than that in highly hydrated carrageenan gels. The surface heterogeneity and composition when fat is added strongly influence the diffusivity by modifying the liquid water absorption at the inner surface.This study of diffusing molecules in liquid state is particularly interesting to mimic situations where direct liquid water contact occurs…
Study of interface diffusion of Ti and TiN PVD layers by Bremsstrahlung-induced AES
1992
The influence of heat treatment in ultrahigh vacuum (UHV) on Ti and TiN layers coated by physical vapour deposition (PVD) has been studied by AES, XPS and bremsstrahlung-induced AES. It could be concluded that up to 500 o C (1 h) the Ti layer does not change significantly. At the TiN/steel substrate interface, however, a counter-diffusion of nitrogen and adventitious oxygen takes place, resulting in partial nitridation of the steel substrate and oxidation of the coating
Recombination processes in rare-earth doped MAl2O4(M = Ca, Sr) persistent phosphors investigated by optically-detected magnetic resonance
2007
Single crystalline MAl 2 O 4 (M = Ca and Sr) persistent phosphors, which are nominally pure or additionally doped with Eu and Nd or Dy, respectively, were investigated for their recombination luminescence (RL) and microwave-induced changes in the RL at low temperatures. The analysis of the optically-detected electron paramagnetic resonance (EPR) spectra, recorded after ultraviolet excitation at 4.2 K, shows that intrinsic donor and acceptor centres are involved in the recombination process. Spectral dependent RL-EPR measurements on undoped CaAl 2 O 4 (CAO) and SrAl 2 O 4 (SAO) show that we deal with only one donor but at least two different acceptors. The g value of the donor is 1.99 in CAO…
Micellization in Model Surfactant Systems
1999
Formation of micelles in model lattice surfactant systems was studied by a novel methodology based on grand-canonical Monte Carlo simulations. The methodology involves combining free-energy information from a series of simulations in small systems by histogram reweighting. The solution osmotic pressure as a function of overall volume fraction of surfactant shows a sharp break at the critical micelle concentration (cmc) at sufficiently low temperatures. Studies in larger systems at appropriate values of the surfactant chemical potential are used to investigate the size distribution of micellar aggregates. The methodology allows for a clear distiction between micellization and macroscopic pha…
Structure and luminescence of GaN layers
2001
Abstract GaN films grown on 〈1 1 1〉 Si substrate by means of low pressure MOCVD technique in a horizontal flow quartz reactor are characterized by different thin layer analysis methods. The polycrystalline hexagonal structure of the GaN layers has been checked by means of grazing incidence X-ray diffractometry and IR spectroscopy. Cathodoluminescence (CL) spectra and their time kinetics are studied. The mean decay time of the 3.44 eV UV bound exciton transition is below 1 ns, whereas the 3.26 eV violet band shows a slow hyperbolical decay over about 1 μs. A third yellow band appears at 2.12 eV due to transitions via localized states.
Contact Potentials, Fermi Level Equilibration, and Surface Charging.
2016
This article focuses on contact electrification from thermodynamic equilibration of the electrochemical potential of the electrons of two conductors upon contact. The contact potential difference generated in bimetallic macro- and nanosystems, the Fermi level after the contact, and the amount and location of the charge transferred from one metal to the other are discussed. The three geometries considered are spheres in contact, Janus particles, and core-shell particles. In addition, the force between the two spheres in contact with each other is calculated and is found to be attractive. A simple electrostatic model for calculating charge distribution and potential profiles in both vacuum an…
Transfer of Water and Active Molecules at the Interfaces in Complex Food Systems: Theoretical and Practical Aspects
2011
Abstract During processing, storage and consumption, mass transfer of various molecules (water, gases, flavour compounds or other solutes) occur between the different phases in complex food products, and/or also between the complex food and its surroundings. These mass transfers can lead to physical and/or chemical changes and thus induce food quality modifications. The objective of this presentation is to better understand the behaviour of small molecules at the interfaces, especially in model heterogeneous food systems. Different techniques have been developed to characterize their properties and their impact on the mass transfers. Particularly, techniques such as rotative diffusion cell …
Energy distribution of plasma-assisted electron and ion emission from TGS single crystals
2008
Abstract Electron and ion emission accompanying non-thermal plasma processes, produced at the surface of TGS single crystals under driving ac electric field exceeding 10 3 V/cm, have been carried out. These plasma-assisted emission of electrons and ions were examined by means of time and energy distribution measurements. The intensity of registered charges (electrons and ions) displayed on the 2 ms time scale are represented by two distinct peaks. Time dependent energy spectrum of charges, detected under our experimental conditions, involves electrons and ions with maximum energy up to 30–40 eV for first peaks and up to 70–80 eV for second one. Additionally, the energy of electrons is focu…
Hartree–Fock study of adhesion and charge redistribution on the Ag/MgO(0 0 1) interface
2001
Abstract Ab initio study of the Ag/MgO(0 0 1) interfaces based on a quantitative analysis of the bonding in the interfacial region is provided in the framework of Hartree–Fock approach. We are describing the way interfacial electronic and other properties evolve as a function of metal coverage. General conclusion that could be drawn from our calculations is that chemical bond formation is not important for the Ag/MgO(0 0 1) perfect interface. Physisorption of Ag atoms over surface O 2− ions associated with atomic polarization and charge redistribution in the metal planes are the dominant effects. The adhesion energy is enhanced by the interaction of the substrate Mg 2+ ions with the surplus…