Search results for "Surfaces"
showing 10 items of 2837 documents
Electrochemical Quartz Crystal Microbalance Study of Copper Electrochemical Reaction in Acid Medium Containing Chlorides
2006
Copper electrodissolution and electrodeposition were studied by means of gravimetric quartz crystal microbalance and electric cyclic voltammetry combined measurements. Relevant information on the mechanism of these electrochemical processes is provided by the analysis of experimental data and particularly of the mass change per charge unit. The copper electrodeposition and electrodissolution take place by means of two consecutive monoelectronic transfers where the anion participation in the reaction mechanism is specified. Besides, it is proved that the presence of molecular oxygen in the solution contributes to the formation of a passive layer on the surface of the metallic copper deposit.
Catalytic Reaction Mechanism in Native and Mutant Catechol- O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis.
2018
Catechol- O-methyltransferase is an enzyme that catalyzes the methylation reaction of dopamine by S-adenosylmethionine, increasing the reaction rate by almost 16 orders of magnitude compared to the reaction in aqueous solution. Here, we combine the recently introduced adaptive string method and the mean reaction force method, in combination with the structural and electronic descriptors to characterize the reaction mechanism. The catalytic effect of the enzyme is addressed by the comparison of the reaction in the human wild-type enzyme, in the less effective Y68A mutant, and in aqueous solution. The influence of these different environments at different stages of the chemical process and th…
Enzyme Promiscuity in Enolase Superfamily. Theoretical Study of o-Succinylbenzoate Synthase Using QM/MM Methods
2015
The promiscuous activity of the enzyme o-succinylbenzoate synthase (OSBS) from the actinobacteria Amycolatopsis is investigated by means of QM/MM methods, using both density functional theory and semiempirical Hamiltonians. This enzyme catalyzes not only the dehydration of 2-succinyl-6R-hydroxy-2,4-cyclohexadiene-1R-carboxylate but also catalyzes racemization of different acylamino acids, with N-succinyl-R-phenylglycine being the best substrate. We investigated the molecular mechanisms for both reactions exploring the potential energy surface. Then, molecular dynamics simulations were performed to obtain the free energy profiles and the averaged interaction energies of enzymatic residues wi…
An efficient probe for sensing different concentration ranges of glutathione based on AIE-active Schiff base nanoaggregates with distinct reaction me…
2018
Abstract A novel tetraphenylethene-diketopyrrolopyrrole Schiff base (TPE-DPP) was synthesized by one-pot protocol. Based on thiol group and acid-base property of glutathione, nanoaggregates of TPE-DPP for sensitive and selective detection of diff ;erent concentration ranges of glutathione by two distinct reaction mechanisms was reported. It showed a turn-on mode of fluorescence signals towards low concentration of GSH by hydrolysis of TPE-DPP, but a ratiometric mode of fluorescence signal was elicited towards high concentration of GSH by addition reaction of thiol with TPE-DPP. What’s more, the probe was successfully utilized for monitoring GSH in living cells.
Nanoscale etching of III-V semiconductors in acidic hydrogen peroxide solution: GaAs and InP, a striking contrast in surface chemistry
2019
In this study of nanoscale etching for state-of-the-art device technology, the importance of surface chemistry, in particular the nature of the surface oxide, is demonstrated for two III-V materials. Striking differences in etching kinetics were found for GaAs and InP in sulphuric and hydrochloric acidic solutions containing hydrogen peroxide. Under similar conditions, etching of GaAs was much faster, while the dependence of the etch rate on pH, and on H2O2 and acid concentrations also differed markedly for the two semiconductors. Surface analysis techniques provided information on the product layer present after etching: strongly non-stoichiometric porous (hydr)oxides on GaAs and a thin st…
Molybdenum deposition on TiO2 (110) surfaces with different stoichiometries
1999
Abstract The deposition of ultra thin molybdenum films has been carried out on three different TiO 2 surfaces: a stoichiometric and flat one obtained after annealing, a non stoichiometric and rough surface made by Ar + bombardment and a stoichiometric and rough surface obtained by oxygen bombardment. Whatever the substrate preparation, in situ AES and XPS studies and ex situ AFM and RHEED characterizations have revealed a Stranski–Krastanov growth mode: the completion of three monolayers followed by island growth is observed in any case. The three monolayers are composed of amorphous molybdenum oxide with a molybdenum oxidation state between III and IV. The oxidation of the molybdenum layer…
Superficial oxidation of molybdenum at high pressure and low temperature: RHEED and AES analyses of the molybdenum oxide formation
1991
Abstract Numerous studies relate to the interaction of the molybdenum surface with oxygen at low pressure and high temperature. They give results about oxygen chemisorption, surface facetting and the epitaxial formation of MoO 2 crystallites. This work deals with the interaction of Mo(100), Mo(110) and Mo(111) surfaces with oxygen at high pressure (10 4 Pa) and low temperature (620–820 K). RHEED and AES analyses results prove that, in these oxidation conditions: MoO 2 and non-stoichiometric molybdenum oxide such as Mo 4 O 11 are not evidenced in any of the molybdenum oxidation steps. The MoO 3 phase nucleates directly from any Mo surface. The structure and orientation of MoO 3 nuclei are ch…
Morphology and magnetoresistance of Co2Cr0.6Fe0.4Al-based tunnelling junctions
2009
Some ferromagnetic Heusler compounds are theoretically predicted to be half metallic materials, i.e. to be characterized by a huge spin polarization at the Fermi energy. We investigate the correlations between junction preparation conditions, morphology and transport properties of planar MgO/Co2Cr0.6Fe0.4Al/AlOx/Co/CoOx/Pt tunnelling junctions. Epitaxial Co2Cr0.6Fe0.4Al thin films were deposited by dc and rf magnetron sputtering on different buffer layers (Cr, Fe, MgO) on MgO(1 0 0) substrates. By RHEED, LEED and in situ STM investigations different surface morphologies were observed. Atomically flat surfaces with Co2Cr0.6Fe0.4Al unit cell sized steps (B2 structure) were obtained by rf sput…
Influence of the Chemical Composition and Electronic Structure of Passive Films Grown on 316L SS on Their Transient Electrochemical Behavior
2004
Modifications of the passive film formed on 316L stainless steel (SS) in acidic media were performed under dc or ac polarization. The effects of these ageing treatments on the chemical composition and the electronic structure of the passive film were studied. Chemical analysis with angle resolved X-ray photoelectron spectroscopy revealed that ageing induces a net enrichment in chromium oxide in the inner part of the passive film and an increase of the thickness of the inner oxide. Semiconducting behavior of the passive films was revealed by a Mott-Schottky analysis. The passive film was considered as a dielectric with different trapping levels lying in the bandgap. The observed n- or p-type…
Anodic Dissolution of Nickel across Two Consecutive Electron Transfers
2007
The analysis of the electrochemical quartz crystal microbalance and electrochemical impedance spectroscopy results are consistent with a nickel electrodissolution process limited by the passage of Ni(I) to Ni(II), when chloride ions are present in the acid sulfate medium, or by the passage of Ni(II) to Ni 2+ in solution, in absence of chloride. This interpretation allows an explanation of the potential evolution of Fdm/dQ values in both experimental conditions by assuming the formation of a new phase on the electrode surface with a gel-like structure placed between the metal and the solution. Ni(I) surface concentration is calculated from the instantaneous mass/charge Fdm/dQ values.