Search results for "substrat"

Polymer-supported bilayer on a solid substrate

1992

Ab initio modeling of copper adhesion on regular BaTiO3(001) surfaces

2005

Ab initio calculations have been performed for copper adsorption on a regular, defect-free TiO"2- and BaO-terminated (001) surfaces of a cubic BaTiO"3, using a posteriori HF-CC method as implemented into the CRYSTAL-03 computer code. To clarify the nature of the interfacial bonding, we use slab models of the Cu/BaTiO"3(001) interfaces with different one-side substrate coverages, varied from 1/8 monolayer (ML) up to 1/2 ML, over both TiO"2- and BaO-terminated surfaces. TiO"2 termination has been found to be energetically more favorable for the adsorption of copper atoms. In agreement with previous experimental and theoretical data, our calculations indicate essential contribution of atomic p…

Anaerobic removal of 1-methoxy-2-propanol under ambient temperature in an EGSB reactor

2015

Two laboratory-scale expanded granular sludge bed (EGSB) reactors were operated at 18 and 25 °C, respectively, for the treatment of synthetic wastewater composed of ethanol and 1-methoxy-2-propanol (M2P) in a mass ratio of 4:1. Reactors were operated first with continuous wastewater supply and after with discontinuous substrate supply (5 days a week, 16 h a day) to simulate shift working conditions. Under continuous wastewater supply chemical oxygen demand (COD), removal efficiency higher than 95 % was achieved at the end of the trial applying organic loading rates (OLR) of 29 and 43 kg COD m(-3) day(-1) at 18 and 25 °C; thus, corresponding to M2P OLR of 6.4 and 9.3 kg COD m(-3) day(-1), re…

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

Electrochemical synthesis on boron-doped diamond

2012

Abstract Boron-doped diamond (BDD) is a novel and innovative electrode material. In protic media and particular aqueous electrolytes BDD exhibits a large over potential for the evolution of molecular hydrogen and oxygen. The large chemical window allows a variety of electrochemical conversions to be conducted. The anodic process treatment generates oxyl species directly which are known to be extremely reactive. Usually, the electrochemical mineralization of the organic components in the electrolyte occurs. However, with control of the reactivity of these intermediates the use in electroorganic synthesis can be realized. Until today mostly anodic conversions have been studied at BDD. Since h…

Voltammetry of microparticles, scanning electrochemical microscopy and scanning tunneling microscopy applied to the study of dsDNA binding and damage…

2014

Abstract Microparticulate deposits of scorpiand-like azamacrocyclic receptors (L1–L4) attached to graphite electrodes provide distinctive voltammetric features in contact with aqueous DNA solutions at biological pH, denoting the formation of DNA surface complexes. This voltammetry allows for screening dsDNA, ssDNA and G-Quadruplex DNA using L4-modified electrodes. Scanning electrochemical microscopy and scanning tunneling microscopy examination of dsDNA fibers attached to the substrate electrode in contact with DMSO solutions containing ferrocene and receptor indicate that a synergic effect is exerted between electrochemically generated ferrocenium ion and the receptors so that they increas…

Adsorption of 3d Transition Elements on a TiO2(110) Surface.

2008

International audience; A first-principles study on the adsorption of 3d transition metal atoms on a stoichiometric TiO2(110) surface is reported. For all 3d elements except Cu, the most stable on-surface adsorption site is a site where the adatom binds to two twofold and one threefold surface oxygen atoms. For Ti, V, and Cr, however, a subsurface site, where the adatom substitutes a sixfold Ti atom, is more stable. The adatoms are oxidized in all cases. The charge transfer to the substrate is larger for the substitutional site than for the on-surface adsorption sites and decreases with atomic number along the 3d series. The relative stabilities of the adsorption sites are discussed in term…

Die dimerisierung von endständigen α-hydroxyacetylenen mit rhodiumkomplexkatalysatoren

1978

Abstract The dimerisation of monosubstituted α-hydroxyacetylenes, which is catalysed by rhodium complexes, yields 1,4-disubstituted vinylacetylenes. The catalyst has been optimized for 3-methylbut-1-yn-3-ol as the substrate by using different ligands. Kinetic measurements were carried out with the monomers 3-methylbut-1-yn-3-ol, 3-methylpent-1-yn-3-ol and 1-ethynylcyclohexan-1-ol. In addition the rates of the dimerisation have been compared with those for a further series of α-hydroxyacetylenes. The by-products from the reaction of 3-methylbut-1-yn-3-ol with [(C 6 H 5 ) 3 P] 3 RhCl as catalyst were determined and the yields of the products compared with those of but-1-yn-3-ol and prop-1-yn-…

MOCVD growth of CdTe on glass: analysis of in situ post-growth annealing

2004

Abstract In this paper, we analyse the growth by MOCVD of CdTe on glass substrates using in situ post-growth annealing. First, in order to perform a systematic study, polycrystalline layers of CdTe were deposited by MOCVD on glass substrates. The structure and morphology of the layers was investigated as a function of different growth parameters, temperature, VI/II precursor molar ratio and substrate position on the susceptor. An activation energy of Ek=20.7 kcal/mol was obtained from the experimental data. In order to better understand the process and the effects of different growth parameters, a numerical model that simulated the gas flow in the reactor, was developed. Secondly we analyse…

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…