Search results for "physical chemistry"
showing 10 items of 1199 documents
[Cu(bpy)(P^P)]+ containing light-emitting electrochemical cells: improving performance through simple substitution
2014
Light-emitting electrochemical cells (LECs) containing [Cu(POP)(N^N)][PF6] (POP = bis(2-diphenylphosphinophenyl)ether, N^N = 6-methyl- or 6,6′-dimethyl-2,2′-bipyridine) exhibit luminance and efficiency surpassing previous copper(i)-containing LECs.
Methyl-3-Hexenoate Combustion Chemistry: Experimental Study and Numerical Kinetic Simulation
2020
International audience; This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. …
Efficient Gas Separation and Transport Mechanism in Rare Hemilabile Metal–Organic Framework
2019
Understanding/visualizing the established interactions between gases and adsorbents is mandatory to implement better performance materials in adsorption/separation processes. Here we report the unique behavior of a rare example of a hemilabile chiral three-dimensional metal–organic framework (MOF) with an unprecedented qtz-e-type topology, with formula CuII2(S,S)-hismox·5H2O (1) (hismox = bis[(S)-histidine]oxalyl diamide). 1 exhibits a continuous and reversible breathing behavior, based on the hemilability of carboxylate groups from l-histidine. In situ powder (PXRD) and single crystal X-ray diffraction (SCXRD) using synchrotron radiation allowed us to unveil the crystal structures of four …
Spin Crossover Phenomenon in Nanocrystals and Nanoparticles of [Fe(3-Fpy)2M(CN)4] (MII = Ni, Pd, Pt) Two-Dimensional Coordination Polymers
2010
The two-dimensional spin crossover (SCO) polymers [Fe(3-Fpy)2M(CN)4] (MII = Ni(1), Pd(2), Pt(3)) were nanostructured in the form of nanocrystals and nanoparticles, and their chemical, structural, and physical characterization was carried out using different experimental methods (powder X-ray diffraction, magnetic susceptibility measurements, Mossbauer and infrared spectroscopy, transmission and scanning electronic microscopy, etc.). Surfactant-free nanocrystals of average dimensions 400 × 400 × 30 nm (1a, 1a*, 2a, 3a) were synthesized from water in oil microemulsions (w/o) while nanoparticles of average size 200 × 100, 100 × 60, and 70 × 30 nm were obtained in poly(vinylpyrrolidone) (PVP) c…
Hackmanite—The Natural Glow-in-the-Dark Material
2020
“Glow-in-the-dark” materials are known to practically everyone who has ever traveled by airplane or cruise ship, since they are commonly used for self-lit emergency exit signs. The green afterglow, persistent luminescence (PeL), is obtained from divalent europium doped to a synthetic strontium aluminate, but there are also some natural minerals capable of afterglow. One such mineral is hackmanite, the afterglow of which has never been thoroughly investigated, even if its synthetic versions can compete with some of the best commercially available synthetic PeL materials. Here we combine experimental and computational data to show that the white PeL of natural hackmanite is generated and cont…
Oxidation of pentan-2-ol -Part II: Experimental and modeling study
2021
International audience; The oxidation of pentan-2-ol was investigated at high-pressure in a jet-stirred reactor and in a shock tube. Experiments in the JSR were carried out at 10 atm, between 500-1180 K, for five different equivalence ratios of = 0.35, 0.5, 1, 2, 4 and 1000 ppm of fuel, at a constant residence time of 0.7 s. Reactant, product and intermediate species mole fractions were quantified using Fourier transform infrared spectrometry (FTIR) and gas chromatography (GC). Ignition delay times were measured for pentan-2-ol/O 2 mixtures in argon in a shock tube at 20 and 40 bar, in a temperature range of 1070-1460 K and for equivalence ratios of = 0.5, 1 and 2. Ignition delay times of a…
Utilisation de la diffraction résonnante pour déterminer la distribution cationique d'un ferrite de titane nanométrique
1998
Les proprietes magnetiques des ferrites de structure spinelle dependent, entre autres, de la distribution cationique dans la maille. La connaissance de cette repartition a pu etre obtenue dans le cas d'un ferrite substitue au titane en utilisant la diffraction anomale de poudre couplee avec un affinement structural de type Rietveld, methode qui est le fruit des dernieres avancees effectuees autour du rayonnement synchrotron.
Simultaneous photonic and excitonic coupling in spherical quantum dot supercrystals
2020
Semiconductor nanocrystals, or quantum dots (QDs), simultaneously benefit from inexpensive low-temperature solution processing and exciting photophysics, making them the ideal candidates for next-generation solar cells and photodetectors. While the working principles of these devices rely on light absorption, QDs intrinsically belong to the Rayleigh regime and display optical behavior limited to electric dipole resonances, resulting in low absorption efficiencies. Increasing the absorption efficiency of QDs, together with their electronic and excitonic coupling to enhance charge carrier mobility, is therefore of critical importance to enable practical applications. Here, we demonstrate a ge…
Investigation of lanthanum substitution effects in yttrium aluminium garnet: importance of solid state NMR and EPR methods
2020
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Influence of the external stretching on hydrogen electromigration in palladium
2002
Abstract Electromigration and diffusion of hydrogen in palladium depending on unit elongation were investigated. It was found that the obtained experimental results cannot be described by means of a single flux of hydrogen, which diffuses in a gradient of electric field. In order to effectively explain the obtained results, a theoretical model was elaborated. It assumed the existence of the following two fluxes of hydrogen in the stretched metal: • Ji—of migration, according to the interstitial mechanism, and • Ji-d—of migration, according to the interstitial-defective mechanism. Dependence of effective valences and diffusion coefficients for both mechanisms of transportation were determine…