Search results for "Halide"
showing 10 items of 324 documents
Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands
2011
The solvothermal reactions between pyrimidinedisulfide (pym(2)S(2)) and CuI or CuBr(2) in CH(2)Cl(2):CH(3)CN lead to the formation of [Cu(11)I(7)(pymS)(4)](n) (pymSH = pyrimidine-2(1H)-thione) (1) and the dimer [Cu(II)(μ-Br)(Br)L](2) (L = 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde) (2). In the later reaction, there is an in situ S-S, S-C(sp(2)), and C(sp(2))-N multiple bond cleavage of the pyrimidinedisulfide resulting in the formation of 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde. Interestingly, similar reactions carried out just with a change in the solvent (H(2)O:CH(3)CN instead of CH(2)Cl(2):CH(3)CN) give rise to the formation of coordination polymers with rather diffe…
Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence
2019
Dry mechanochemical ball-milling of halide precursor salts is a promising route for the synthesis of high-purity halide perovskites in a fast and solvent-free manner. However, there is a lack of information on the process mechanisms, kinetics, and possible side-effects. Here, we investigated in detail the mechanochemical synthesis of fully-inorganic CsPbBr3 by ball-milling of stoichiometric CsBr and PbBr2. Detailed structural, morphological and optical analyses reveal several beneficial and detrimental effects of milling as a function of time. Three stages are identified during the process: (i) at short milling times (t < 5 min) different ternary compounds are formed, including stoichiometr…
Semiconductor electrochemistry approach to passivity and passivity breakdown of metals and metallic alloys
2004
AbstractA critical appraisal of the use of the theory of semiconductors in characterising passive films on metals and alloys is provided, with special emphasis on the use of Mott-Schottky theory for the location of characteristic energy levels of the passive film-electrolyte junction. Some inconsistencies between theory and experimental results in the case of thin passive films are discussed together with possible alternative ways for overcoming such problems. The role of semiconducting properties in determining the pitting behaviour of passive films on W in solutions containing halide is presented and discussed. The validity of a recently proposed correlation between the solid state proper…
Surface Coordination of Multiple Ligands Endows N‐Heterocyclic Carbene‐Stabilized Gold Nanoclusters with High Robustness and Surface Reactivity
2020
Deciphering the molecular pictures of the multi-component and non-periodic organic-inorganic interlayer is a grand technical challenge. Here we show that the atomic arrangement of hybrid surface ligands on metal nanoparticles can be precisely quantified through comprehensive characterization of a novel gold cluster, Au 44 ( i Pr 2 -bimy) 9 (PA) 6 Br 8 , which features three types of ligands, namely, carbene (1,3-diisopropylbenzimidazolin-2-ylidene, i Pr 2 -bimy), alkynyl (phenylacetylide, PA), and halide (Br), respectively. The delicately balanced stereochemical effects and bonding capabilities of the three ligands give rise to peculiar geometrical and electronic structures. Remarkably, des…
Adsorption Studies of Molecules on the Halloysite Surfaces: A Computational and Experimental Investigation
2017
We report the results of joint computational and experimental investigations on the adsorption capability of halloysite toward a set of common molecules (water, alcohols, halides, and carboxylic acids). The halloysite system has been modelized by means of a cluster approach choosing a portion of a spiral nanotube; it has a slight curvature, with a convex aluminic layer. The adsorption geometries are described in terms of hydrogen bond network structures; calculated interaction energies invariably indicate that the inner aluminic surface is the place for preferential adsorption of polar molecules. The presence of substitutional defects on the outer or inner surface of the halloysite model ca…
The kinetics of diffusion-controlled annealing of Frenkel defects in alkali halide crystals
1994
Abstract The annealing kinetics of the strongly correlated (the so-called geminate) pairs of both neutral F,H centers as well as F, I centers entering secondary triplets (F…Ihellip; self-trapped hole) in KCl and KBr crystals is calculated. In this model diffusion of hole I and H centers and their annihilation with electron F centers at short relative distances stimulated by the elastic or Coulomb interaction are taken into account. It is demonstrated that F,H pairs are destroyed by tunneling recombination already at times ≤ 10−4 s, i.e. much before the beginning of the thermostimulated experiments. A possible explanation of this contradiction is discussed.
Basic properties of the F-type centers in halides, oxides and perovskites
2010
We present a short survey of the optical properties of primary radiation-induced point defects in alkali halides, simple oxides and some ABO3 perovskites. We discuss in details the optical properties of single electron F and F + centers in rock-salt (f.c.c.) alkali halides and oxides and show that the Mollwo–Ivey law well-known for the F-type centers in alkali halides may be extended for other rock-salt structure insulators. We also discuss the major differences in point defect production mechanisms in halides and oxides. We show that the Rabin–Klick diagram may be generalized for a whole family of alkali halides. The F-type center migration and aggregation into metal colloids in alkali hal…
Radiation defects in doped alkali halide microstructures
2000
Abstract Photostimulated luminescence (PSL) has been measured in KBr and KI systems doped with Tl and In. The size of grains in microstructures varied from 0.1 to 1.0 μm. Specifics of the photostimulated luminescence mechanisms in these systems are analysed from the viewpoint of their application in miniaturized optoelectronic and photonic devices, including optical chips.
Electric hyperfine interaction in199Hg fluorides
1985
With the current integration technique, the Mossbauer effect on the 158 keV, 5/2−→1/2− transition in199Hg was studied using the cubic HgF2 and the tetragonal Hg2F2 as absorbers; in the latter, a quadrupole splittingeQVzz=}- 9.0(2) mm/s was observed. Electron densities were calculated with the self-consistent-charge-extended-Hueckel-molecular-orbital method and δ〈r2〉=(3.26±0.11) fm2 derived. From the quadrupole splitting and the calculation, an effective antishielding factor almost twice that of the neutral Hg atom is derived.
Production and release of ISOL beams from molten fluoride salt targets
2014
In the framework of the Beta Beams project, a molten fluoride target has been proposed for the production of the required 1013 18Ne/s. The production and extraction of such rates are predicted to be possible on a circulating molten salt with 160 MeV proton beams at close to 1 MW power. As a most important step to validate the concept, a prototype has been designed and investigated at CERN-ISOLDE using a static target unit. The target material consisted of a binary fluoride system, NaF:LiF (39:61 mol.%), with melting point at 649 °C. The production of Ne beams has been monitored as a function of the target temperature and proton beam intensity. The prototype development and the results of th…