scholarly journals Influence of crystal structure on the electrochemical performance of A-site-deficient Sr1−sNb0.1Co0.9O3−δ perovskite cathodes

RSC Advances ◽  
2014 ◽  
Vol 4 (77) ◽  
pp. 40865-40872 ◽  
Author(s):  
Yinlong Zhu ◽  
Ye Lin ◽  
Xuan Shen ◽  
Jaka Sunarso ◽  
Wei Zhou ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Electrochemical Performance ◽  
Charge Ordering ◽  
Orr Activity ◽  
A Site

Sr0.95Nb0.1Co0.9O3−δ (P4/mmm crystal structure), displaying a large JT distortion combined with charge-ordering of cobalt, shows improved ORR activity at low temperature, whereas Sr0.98Nb0.1Co0.9O3−δ (P4mm crystal structure), with a slight JT distortion, shows diminished performance.

scholarly journals Structural and Electrical Properties of Ca2+ Doped LaFeO3: The Effect of A-site Cation Size Mismatch

2020 ◽  
Vol 10 (2) ◽  
pp. 5538-5546
Author(s):  
A. E. Irmak
Keyword(s):  
Crystal Structure ◽  
Sol Gel ◽  
Charge Ordering ◽  
Room Temperature Resistivity ◽  
Size Mismatch ◽  
Ca Doping ◽  
Average Size ◽  
A Site ◽  
Cation Size ◽  
Small Polarons

In this study, nanosized La1-xCaxFeO3 (0.00≤x≤0.40) compounds prepared via sol-gel method followed by heat treatment at 1100oC for 24 hours are studied. Crystal structure, microstructure, surface morphology and temperature-dependent resistivity of the samples are investigated. TEM investigation reveals nanoparticles with an average size of 35nm produced from the sol-gel process. The crystal structure of the compounds belongs to an orthorhombically distorted perovskite structure with Pbnm space group. Lattice distortion and cation size mismatch increase with an increase in Ca and particle and grain growth are suppressed by Ca doping. Electrical conduction is explained via thermally activated hopping of small polarons. Unit cell volume, charge ordering temperature, and activation energy for small polarons decrease linearly with an increase in cation size mismatch. Room temperature resistivity decreases with Ca doping and gets its minimum value for 30% Ca at which the orthorhombic distortion is maximum.

Ba[Co3(VO4)2(OH)2] with a regular Kagomé lattice

2013 ◽  
Vol 69 (2) ◽  
pp. 114-118 ◽  
Author(s):  
Tamara Đordević ◽  
Ljiljana Karanović
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Title Compound ◽  
Kagome Lattice ◽  
Hydrothermal Conditions ◽  
Kagomé Lattice ◽  
A Site

The new layered title compound, barium di-μ-hydroxido-di-μ-vanadato-tricobaltate(II), was prepared under low-temperature hydrothermal conditions. Its crystal structure comprises Co2+and O2−ions in the Kagomé geometry. The octahedral Co3O6(OH)2Kagomé layers, made up of edge-shared CoO4(OH)2octahedra with Co on a site of 2/msymmetry, alternate along thecaxis with barium vanadate heteropolyhedral layers, in which Ba is on a site of \overline{3}msymmetry and V is on a site of 3msymmetry. All three O atoms and the H atom also occupy special positions: two O atoms and the H atom are on sites with 3msymmetry and one O atom is on a site withmsymmetry. Ba[Co3(VO4)2(OH)2] represents the first compound from the four-component BaO–CoO–V2O5–H2O system and its structure is topologically related to the minerals vesignieite, Ba[Cu3(VO4)2(OH)2], and bayldonite, Pb[Cu3(AsO4)2(OH)2].

ФОРМИРОВАНИЕ ПЕРЕХОДНОГО СЛОЯ ALN НА ТЕМПЛЕЙТАХ 3С-SIC/SI(111) МЕТОДОМ АММИАЧНОЙ МОЛЕКУЛЯРНО-ЛУЧЕВОЙ ЭПИТАКСИИ

2020 ◽  
Vol 96 (3s) ◽  
pp. 148-153
Author(s):  
С.Д. Федотов ◽  
А.В. Бабаев ◽  
В.Н. Стаценко ◽  
К.А. Царик ◽  
В.К. Неволин
Keyword(s):  
Crystal Structure ◽  
Growth Rate ◽  
Low Temperature ◽  
Surface Morphology ◽  
Single Crystal ◽  
Root Mean Square Roughness ◽  
Rate Variation ◽  
Mean Square ◽  
Nucleation Layer ◽  
Low Temperature Epitaxy

Представлены результаты изучения морфологии поверхности и структуры слоев AlN, сформированных аммиачной МЛЭ на темплейтах 3C-SiC/Si(111) on-axis- и 4° off-axis-разориентации. Опробован технологический режим низкотемпературной эпитаксии зародышевого слоя AlN на поверхности 3C-SiC(111). Среднеквадратичная шероховатость поверхности (5 х 5 мкм) слоев AlN толщиной 150 ± 50 нм составила 2,5-3,5 нм на темплейтах 3C-SiC/Si(111) on-axis и 3,3-3,5 нм на 4° off-axis. Показано уменьшение шероховатости смачивающего слоя AlN при изменении скорости роста. Получены монокристаллические слои AlN(0002) со значениями FWHM (ω-геометрия) 1,4-1,6°. The paper presents the surface morphology and crystal structure of AlN layers formed by ammonia MBE on 3C-SiC/Si(111) on-axis and 4° off-axis disorientation. It offers the technological approach of low-temperature epitaxy of the AlN nucleation layer on the 3C-SiC (111) surface. Root mean square roughness (5 х 5 |xm) of AlN layers with thickness of 150 ± 50 nm was 2,5-3,5 nm onto on-axis templates and 3.3-3.5 nm onto 4° off-axis. It appears that the RMS roughness of the AlN surface is changing with the growth rate variation. Single-crystal AlN(0002) layers with FWHM values (ω-geometry) of 1.4-1.6° have been obtained.

scholarly journals Crystal structures of Ca2+–calmodulin bound to NaV C-terminal regions suggest role for EF-hand domain in binding and inactivation

2019 ◽  
Vol 116 (22) ◽  
pp. 10763-10772 ◽  
Author(s):  
Bernd R. Gardill ◽  
Ricardo E. Rivera-Acevedo ◽  
Ching-Chieh Tung ◽  
Filip Van Petegem
Keyword(s):  
Crystal Structure ◽  
Binding Sites ◽  
Binding Mode ◽  
Conformational Switch ◽  
Channel Inactivation ◽  
Dependent Inactivation ◽  
Ef Hand ◽  
Inherited Arrhythmia ◽  
A Site

Voltage-gated sodium (NaV) and calcium channels (CaV) form targets for calmodulin (CaM), which affects channel inactivation properties. A major interaction site for CaM resides in the C-terminal (CT) region, consisting of an IQ domain downstream of an EF-hand domain. We present a crystal structure of fully Ca2+-occupied CaM, bound to the CT of NaV1.5. The structure shows that the C-terminal lobe binds to a site ∼90° rotated relative to a previous site reported for an apoCaM complex with the NaV1.5 CT and for ternary complexes containing fibroblast growth factor homologous factors (FHF). We show that the binding of FHFs forces the EF-hand domain in a conformation that does not allow binding of the Ca2+-occupied C-lobe of CaM. These observations highlight the central role of the EF-hand domain in modulating the binding mode of CaM. The binding sites for Ca2+-free and Ca2+-occupied CaM contain targets for mutations linked to long-QT syndrome, a type of inherited arrhythmia. The related NaV1.4 channel has been shown to undergo Ca2+-dependent inactivation (CDI) akin to CaVs. We present a crystal structure of Ca2+/CaM bound to the NaV1.4 IQ domain, which shows a binding mode that would clash with the EF-hand domain. We postulate the relative reorientation of the EF-hand domain and the IQ domain as a possible conformational switch that underlies CDI.

scholarly journals Crystal Structure Refinements of Four Monazite Samples from Different Localities

Minerals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1028 ◽  
Author(s):  
M. Mashrur Zaman ◽  
Sytle M. Antao
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Large Unit Cell ◽  
A Site

This study investigates the crystal chemistry of monazite (APO4, where A = Lanthanides = Ln, as well as Y, Th, U, Ca, and Pb) based on four samples from different localities using single-crystal X-ray diffraction and electron-probe microanalysis. The crystal structure of all four samples are well refined, as indicated by their refinement statistics. Relatively large unit-cell parameters (a = 6.7640(5), b = 6.9850(4), c = 6.4500(3) Å, β = 103.584(2)°, and V = 296.22(3) Å3) are obtained for a detrital monazite-Ce from Cox’s Bazar, Bangladesh. Sm-rich monazite from Gunnison County, Colorado, USA, has smaller unit-cell parameters (a = 6.7010(4), b = 6.9080(4), c = 6.4300(4) Å, β = 103.817(3)°, and V = 289.04(3) Å3). The a, b, and c unit-cell parameters vary linearly with the unit-cell volume, V. The change in the a parameter is large (0.2 Å) and is related to the type of cations occupying the A site. The average <A-O> distances vary linearly with V, whereas the average <P-O> distances are nearly constant because the PO4 group is a rigid tetrahedron.

Crystal structure and magnetic properties of “α′′-Fe16N2” containing residual α-Fe prepared by low-temperature ammonia nitridation

2012 ◽  
Vol 194 ◽  
pp. 76-79 ◽  
Author(s):  
S. Yamashita ◽  
Y. Masubuchi ◽  
Y. Nakazawa ◽  
T. Okayama ◽  
M. Tsuchiya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Low Temperature

Crystal chemistry of transition metal diarsenates M 2As2O7 (M = Mn, Co, Ni, Zn): variants of the thortveitite structure

2010 ◽  
Vol 66 (6) ◽  
pp. 603-614 ◽  
Author(s):  
Matthias Weil ◽  
Berthold Stöger
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Transition Metal ◽  
Basic Structure ◽  
Structure Type ◽  
Ambient Conditions ◽  
Modulated Structure ◽  
Triclinic Crystal System ◽  
Space Groups ◽  
Unit Cells

The structures of the 3d divalent transition-metal diarsenates M 2As2O7 (M = Mn, Co, Ni, Zn) can be considered as variants of the monoclinic (C2/m) thortveitite [Sc2Si2O7] structure type with a ≃ 6.7, b ≃ 8.5, c ≃ 4.7 Å, α ≃ 90, β ≃ 102, γ ≃ 90° and Z = 2. Co2As2O7 and Ni2As2O7 are dimorphic. Their high-temperature (β) polymorphs adopt the thortveitite aristotype structure in C2/m, whereas their low-temperature (α) polymorphs are hettotypes and crystallize with larger unit cells in the triclinic crystal system in space groups P\bar 1 and P1, respectively. Mn2As2O7 undergoes no phase transition and likewise adopts the thortveitite structure type in C2/m. Zn2As2O7 has an incommensurately modulated crystal structure [C2/m(α,0,γ)0s] with q = [0.3190 (1), 0, 0.3717 (1)] at ambient conditions and transforms reversibly to a commensurately modulated structure with Z = 12 (I2/c) below 273 K. The Zn phase resembles the structures and phase transitions of Cr2P2O7. Besides descriptions of the low-temperature Co2As2O7, Ni2As2O7 and Zn2As2O7 structures as five-, three- and sixfold superstructures of the thortveitite-type basic structure, the superspace approach can also be applied to descriptions of all the commensurate structures. In addition to the ternary M 2As2O7 phases, the quaternary phase (Ni,Co)2As2O7 was prepared and structurally characterized. In contrast to the previously published crystal structure of the mineral petewilliamsite, which has the same idealized formula and has been described as a 15-fold superstructure of the thortveitite-type basic structure in space group C2, synthetic (Ni,Co)2As2O7 can be considered as a solid solution adopting the α-Ni2As2O7 structure type. Differences of the two structure models for (Ni,Co)2As2O7 are discussed.

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