Search results for "ionic"
showing 10 items of 2016 documents
Novel chemical reaction co-precipitation method for the synthesis of apatite-type lanthanum silicate as an electrolyte in SOFC
2017
Abstract Apatite-type lanthanum silicates have promising performance as electrolyte materials for IT-SOFC. A novel co-precipitation method, based on chemical reaction, is employed in the synthesis process. The reaction products: La(OH) 3 and SiO 2 are used as precursors of apatite synthesis process. The precursors are mixed in molecular scale which provide much conducive to formation reaction. The pure apatite phase composition is obtained with quite moderate temperature of 700 °C for 6 h which shows considerable ionic conductivity performance. The conductivity decreases when you increase the calcination temperature in according with XRD measurement. The XRD measurement shows the presence o…
Copper(i) complexes for sustainable light-emitting electrochemical cells
2011
Four prototype heteroleptic copper(I) complexes [Cu(bpy)(pop)][PF6] (bpy = 2,2′-bipyridine, pop = bis(2-(diphenylphosphino)phenyl)ether), [Cu(phen)(pop)][PF6] (phen = 1,10-phenanthroline), [Cu(bpy)(pdpb)][PF6] (pdpb = 1,2-bis(diphenylphosphino)benzene) and [Cu(phen)(pdpb)][PF6] are presented. The synthesis, X-ray structures, solution and solid-state photophysical studies, and the performance in light-emitting electrochemical cells (LECs) of these complexes are described. Their photophysical properties are interpreted with the help of density functional theory (DFT) calculations. The photophysical studies in solution and in the solid-state indicate that these copper(I) complexes show good lu…
First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba0.5Sr0.5Co1−yFeyO3−δ perovskites
2011
Abstract First-principles supercell calculations of oxygen vacancies in the Ba 0.5 Sr 0.5 Co 1− y Fe y O 3− δ (BSCF) perovskites are presented. The density of states is determined for different iron content and oxygen vacancy concentrations, and the characteristic differences for Co and Fe are discussed. We analyze the dependences of the defect (oxygen vacancy) formation and migration energies on the Fe content and compare the calculated properties with those of related LaCoO 3 and LaFeO 3 perovskites.
Solid proton conductors as room-temperature gas sensors
1993
Ammonia-exchanged ceramic samples of beta alumina have been obtained from plasma-dispersed powders. The ionic conductivity is slightly affected by ion exchange, but the surface conductivity for the amonia-exchanged sample drastically changes in the presence of the water and ammonia vapours. The ammonia-doped xerogel of antimonic acid hydrate in the form of a thick film has been tested as a potentiometric ammonia sensor.
Investigation of the swelling behavior of cationic exchange resins saturated with Na+ ions in a C3S paste
2015
Ion exchange resins (IERs) are widely used by the nuclear industry to decontaminate radioactive effluents. Spent products are usually encapsulated in cementitious materials. However, the solidified waste form can exhibit strong expansion, possibly leading to cracking, if the appropriate binder is not used. In this work, the interactions between cationic resins in the Na+ form and tricalcium silicate are investigated during the early stages of hydration in order to gain a better understanding of the expansion process. It is shown that the IERs exhibit a transient swelling of small magnitude due to the decrease in the osmotic pressure of the external solution. This expansion, which occurs jus…
Two new members of the Silica-X family of materials: RUB-5, a silica zeolite with a very high framework density and RUB-6, a hydrous layer silicate
2020
Abstract The new zeolite RUB-5 and the new phyllo silicate RUB-6 were synthesized at temperatures between 130 °C and 200 °C from reaction mixtures consisting of SiO2/LiOH/B(OH)3/OA/H2O or SiO2/KOH/OA/H2O (OA = organic additive). Physico-chemical characterization using solid-state NMR spectroscopy, SEM, TG-DTA, and ATR-FTIR spectroscopy confirmed that RUB-5 is a framework silicate while RUB-6 is a layer silicate. The XRD powder patterns were indexed in monoclinic symmetry (space group: C2) with lattice parameters of a0 = 10.2699 (4) A, b0 = 10.6556 (4) A, c0 = 18.1551 (7) A and β = 106.35 (1)° (RUB-5), and a0 = 10.1100 (43) A, b0 = 10.6956 (51) A, c0 = 20.5448 (44) A and β = 105.79 (1)° (RUB…
First-Principles Simulations of Interstitial Atoms in Ionic Solids
1995
The atomic and electronic structure of the radiation-induced interstitial atoms in MgO and KCl crystals representing two broad classes of ionic solids are calculated and compared. The first-principles full potential LMTO method is applied to a 16-atom supercell. For both crystals the energetically most favourable configuration is a dumbbell centered at a regular anion site. Its (110) and (111) orientations are very close in energy which permits the dumbbell to rotate easily on a lattice site. The mechanism and the relevant activation energy for thermally activated diffusion hops from the dumbbell equilibrium position to the cube face and cube center are discussed in the light of the availab…
Electrostatic model and NMR results for EFG tensors in tetragonal BaTiO3
1990
Abstract We present 47,49Ti and 135,137Ba NMR second-order quadrupolar rotation patterns in a tetragonal single domain crystal of BaTiO3. These data will be analysed in terms of a ionic polarizable point multipole model.
How the formation of interfacial charge causes hysteresis in perovskite solar cells
2018
In this study, we discuss the underlying mechanism of the current-voltage hysteresis in a hybrid lead-halide perovskite solar cell. We have developed a method based on Kelvin probe force microscopy that enables mapping charge redistribution in an operating device upon a voltage- or light pulse with sub-millisecond resolution. We observed the formation of a localized interfacial charge at the anode interface, which screened most of the electric field in the cell. The formation of this charge happened within 10 ms after applying a forward voltage to the device. After switching off the forward voltage, however, these interfacial charges were stable for over 500 ms and created a reverse electri…
Archetype Cationic Iridium Complexes and Their Use in Solid-State Light-Emitting Electrochemical Cells
2009
The archetype ionic transition-metal complexes (iTMCs) [Ir(ppy)2(bpy)][PF6] and [Ir(ppy)2(phen)][PF6], where Hppy = 2-phenylpyridine, bpy = 2,2'-bipyridine, and phen = 1,10-phenanthroline, are used as the primary active components in light-emitting electrochemical cells (LECs). Solution and solid-state photophysical properties are reported for both complexes and are interpreted with the help of density functional theory calculations. LEC devices based on these archetype complexes exhibit long turn-on times (70 and 160 h, respectively) and low external quantum efficiencies (~ 2%) when the complex is used as a pure film. The long turn-on times are attributed to the low mobility of the counter…