Search results for "Roca"
showing 10 items of 1893 documents
Grand canonical rate theory for electrochemical and electrocatalytic systems I: General formulation and proton-coupled electron transfer reactions
2020
A generally valid rate theory at fixed potentials is developed to treat electrochemical and electrocatalytic potential-dependent electron, proton, and proton-coupled electron reactions. Both classical and quantum reactions in adiabatic and non-adiabatic limits are treated. The applicability and new information obtained from the theory is demonstrated for the gold catalyzed acidic Volmer reaction.
Novel TiO2-WO3 self-ordered nanotubes used as photoanodes: Influence of Na2WO4 and H2O2 concentration during electrodeposition
2021
[EN] Hybrid TiO2-WO3 nanostructures has been synthesized by electrochemical anodization under controlled hydrodynamic conditions followed by electrodeposition in the presence of different contents of Na2WO4 (5, 15 and 25 mM) and H2O2 (20, 30 and 40 mM). The influence of the electrolyte used for electrodeposition on the morphology, crystalline structure and photoelectrochemical response for water splitting has been evaluated through Field Emission Electronic Microscopy, High-Resolution Transmission Electron Microscopy, Confocal Raman Spectroscopy, Grazing Incidence X Ray Diffraction, X-Ray Photoelectron Spectroscopy, Atomic Force microscopy and photocurrent versus potential measurements. Add…
Calculation of vibrationally resolved absorption and fluorescence spectra of the rylenes
2020
A generating function method was used to simulate the vibrationally resolved absorption and emission spectra of perylene, terrylene and quaterrylene. This method operates on the basis of adiabatic excitation energies and electronic ground and excited state vibrational frequencies. These parameters were calculated using density functional theory with the PBE0 functional for perylene and terrylene and with the BH-LYP functional for quaterrylene. The vertical excitation energies of the lower excited states were calculated using functionals with differing amounts of Hartree-Fock exchange. The optimal functional for each molecule was chosen by comparing these energies to literature excitation en…
Nanocatalysts for High Selectivity Enyne Cyclization: Oxidative Surface Reorganization of Gold Sub-2-nm Nanoparticle Networks
2021
International audience; Ultrasmall gold nanoparticles (NPs) stabilized in networks by polymantane ligands (diamondoids) were successfully used as precatalysts for highly selective heterogeneous gold-catalyzed dimethyl allyl(propargyl)malonate cyclization to 5-membered conjugated diene. Such reaction usually suffers from selectivity issues with homogeneous catalysts. This control over selectivity further opened the way to one-pot cascade reaction, as illustrated by the 1,6-enyne cycloisomerization–Diels–Alder reaction of dimethyl allyl propargyl malonate with maleic anhydride. The ability to assemble nanoparticles with controllable sizes and shapes within networks concerns research in sensor…
Leaded Bronze Alloy as a Catalyst for the Electroreduction of CO 2
2019
Innovations in Extractive Phases for In-Tube Solid-Phase Microextraction Coupled to Miniaturized Liquid Chromatography: A Critical Review
2020
Over the past years, a great effort has been devoted to the development of new sorbents that can be used to pack or to coat extractive capillaries for in-tube solid-phase microextraction (IT-SPME). Many of those efforts have been focused on the preparation of capillaries for miniaturized liquid chromatography (LC) due to the reduced availability of capillary columns with appropriate dimensions for this kind of system. Moreover, many of the extractive capillaries that have been used for IT-SPME so far are segments of open columns from the gas chromatography (GC) field, but the phase nature and dimensions are very limited. In particular, polar compounds barely interact with stationary GC phas…
Perylenetetracarboxylic anhydride as a precursor of fluorescent carbon nanoonion rings
2015
[EN] Thermal annealing at 400 degrees C of perylenetetracarboxylic anhydride in low molecular mass PEG gives rise to the formation of well defined nanoobjects of 2.5 nm height and size distribution from 10 to 65 nm (average 40 nm) after purification of the raw mixture with silicagel chromatography. TEM reveals that the flat nanoobjects are constituted of concentric graphenic rings (0.34 nm interlayer distance). The morphology of the nanoparticles resembles onion rings of nanometric dimensions (nanoonion rings C-NOR). C-NOR particles have an excitation dependent emission with lambda(em) from 430 to 570 nm and a maximum emission quantum yield of 0.49. C-NOR particles can be internalized into …
Solution-processed Nickel Oxide electrocatalyst for Electrochemical Water Splitting
2020
Cobalt Metal-Organic Framework based on two dinuclear secondary building units for electrocatalytic oxygen evolution
2019
[EN] The synthesis of a new microporous metal-organic framework (MOF) based on two secondary building units, with dinuclear cobalt centers, has been developed. The employment of a well-defined cobalt cluster results in an unusual topology of the Co-2-MOF, where one of the cobalt centers has three open coordination positions, which has no precedent in MOF materials based on cobalt. Adsorption isotherms have revealed that Co-2-MOF is in the range of best CO2 adsorbents among the carbon materials, with very high CO2/CH4 selectivity. On the other hand, dispersion of Co-2-MOF in an alcoholic solution of Nafion gives rise to a composite (Co-2-MOF@Nafion) with great resistance to hydrolysis in aqu…
Numerical simulation of linear fiction welding (LFW) processes
2011
Solid state welding processes are becoming increasingly important due to a large number of advantages related to joining ''unweldable'' materials and in particular light weight alloys. Linear friction welding (LFW) has been used successfully to bond non-axisymmetric components of a range of materials including titanium alloys, steels, aluminum alloys, nickel, copper, and also dissimilar material combinations. The technique is useful in the research of quality of the joints and in reducing costs of components and parts of the aeronautic and automotive industries.LFW involves parts to be welded through the relative reciprocating motion of two components under an axial force. In such process t…