Search results for "DSO"
showing 10 items of 1609 documents
Performance of interdigitated nanoelectrodes for electrochemical DNA biosensor.
2003
An electrochemical methodology for bio-molecule sensing using an array of well-defined nanostructures is presented. We describe the fabrication by e-beam lithography of nanoelectrodes consisting of a 100 micro m x 50 micro m area containing interdigitated electrodes of 100 nm in width and interelectrode distance of 200 nm. Sensitivity and response time of the nanoelectrodes are compared to the responses of macro- and microelectrodes. The specificity of the sensor is studied by modifying the gold electrodes with DNA. The technique enables to characterize both single and double-stranded DNA of 15 nucleotides. A special electrochemical cell is adapted to control the temperature and measure the…
Analysis and parametric sensitivity of the behavior of overshoots in the concentration of a charged adsorbate in the adsorbed phase of charged adsorb…
2003
In this work, an analysis of the parametric sensitivity of the overshoot in the concentration of the adsorbate in the adsorbed phase, which occurs under certain conditions during an ion-exchange adsorption process, is presented and used to suggest practical implications of the concentration overshoot phenomenon on operational policies and configurations of chromatographic columns and finite bath adsorption systems. The results presented in this work demonstrate and explain how the development of an overshoot in the concentration of the adsorbate in the adsorbed phase could be enhanced or suppressed by (i) varying the diffusion coefficient, D3, of the adsorbate relative to the diffusion coef…
Transport coefficients of n-butane into and through the surface of silicalite-1 from non-equilibrium molecular dynamics study
2009
We have studied coupled heat and mass transfer of n-butane through a membrane of silicalite-1. A description of the surface was given using non-equilibrium thermodynamics, and transport coefficients were determined. Three independent coefficients were found for the whole surface: the resistance to heat transfer, the coupling coefficient and the resistance to mass transfer. These coefficients were defined in stationary state. All resistances are significant, and show that the surface acts as a barrier to transport. A new scheme was devised to find the enthalpy of adsorption, from two particular coupling coefficients, namely the measurable heats of transfer. The method yields the enthalpy of …
Structure of doped polyaniline - dielectric spectroscopy measurements
1993
The role of doping reagents (residual water and acid anions) in determining the electric properties of a chemically synthesized polyaniline (PANI) was studied using a dielectric spectroscopy method. Dependencies of dielectric losses and susceptibility of PANI as the functions of temperature (-100÷+100°C) and electric field frequency (0.3÷30000 Hz) were examined at it was shown the role of water acts as a doping impurity similar to acid anions. The model is proposed to explain the role of water in terms of adsorption of H 2 O molecules at nitrogen sites of PANI chain and their dissociation
Characterization of [Cu]-MCM-41 by XPS and CO or NO adsorption heat measurements
2002
We report the characterization of copper doped MCM-41 prepared by original direct synthesis by XPS and adsorption calorimetry of CO and NO, which are selective molecular probes for Cu(I) and Cu(II) respectively. Investigation of the nature of the copper ions in this particular calcined Cu-MCM-41 by NO adsorption calorimetry shows that two types of energetically distinct adsorption sites exist, meaning the presence of two populations of Cu(II) species differently coordinated to the silica surface in quasi-equimolar concentration, as ascertained by XPS data. A small amount of Cu(I) was also detected, probably stemming from a partial reduction upon the successive vacuum treatments. The respect…
Adsorbed CO on group 10 metal fragments: A DFT study
2009
DFT calculations on the helicopter and cartwheel rotations of one CO molecule adsorbed at the bridge site on metal-surface fragments, characterized by two (M(8)) or three (M(14)) metal-atom layers (M = Ni, Pd, Pt) were performed by the B3LYP[LANL2DZ+6-31 g(d,p)] method, to rationalize the adsorption energetics and the steric hindrance characteristics of surface CO molecules. Potential Energy Surfaces were obtained, either fixing the C-O bond-length or allowing it to change. The behavior of the three metals, as obtained from the study of the configurational space characterizing the CO adsorption on the fragments was explained on the basis of the interaction energies involved in the different…
Static and Dynamic Properties of the Nonframework Cations in Na-Mordenites Zeolite
2004
This work consists of exploring the effect of Si/Al ratio and water content on both the static and dynamic properties of the extra-framework cations in a typical zeolite system Na+-Mordenites. Atomistic simulations based on interatomic potentials and minimisation techniques have been used to determine the location of the cations as a function of the Si/Al ratio and the hydration level. Our calculations showed two different cation behaviours depending on the type of channels that they occupy, the positions of the cations in the main channels being substantially perturbed upon the sorption of water molecules whereas those of the cations located in the small side channels being only slightly s…
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…
The Influence of Alkali Metal Ions in the Chemisorption of CO and CO2on Supported Palladium Catalysts: A Fourier Transform Infrared Spectroscopic Stu…
1996
Two series of palladium-based catalysts were compared on the basis of the adsorption of CO and CO2, monitored by Fourier transform infrared spectroscopy. The first series is represented by a silica-supported palladium catalyst and by some catalysts derived from it by addition of different amounts of sodium ion, 0 ≤ R ≤ 25.6, whereRis the atomic ratio Na/Pd. The second series consists of palladium catalysts supported on “model” and natural pumices. The model pumices, obtained by sol-gel techniques, are silico-aluminates containing variable amounts of sodium so that the corresponding Pd catalysts have anRvalue in the range 0 ≤ R ≤ 6.1. In the Pd/natural pumice catalysts, changes of the atomic…
Intrinsic Metal Size Effect on Adsorption of Organic Molecules on Platinum
2008
Di-σ adsorbed ethene, bridge(30) adsorbed benzene (with four di-σ-type and two π-type interactions), and η1 and η2 adsorbed acetone on nanosized platinum clusters consisting of 19 to 38 Pt atoms were studied theoretically by density functional theory (DFT) calculations with general gradient approximation (GGA) utilizing plane wave and local basis sets. The cluster results were compared to plane wave calculations employed with periodic boundary conditions. It was found that the geometries obtained with different methods are very similar but the adsorption energy depends prominently on the cluster size. Adsorption was strongest on the 22- and 26-atom clusters and weakest on the 35- and 38-ato…