Journal articles: 'Ion-cubic metals'

1

Rose, D. N., H. Turner, and K. O. Legg. "Ion-acoustic microscopy." Canadian Journal of Physics 64, no. 9 (September 1, 1986): 1284–86. http://dx.doi.org/10.1139/p86-222.

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This paper details the modifications to an existing ion implanter that were made to adapt it for ion-acoustic microscopy. Results of tests of the technique on samples of cubic zirconia and alumina implanted with nitrogen ions are described. The utility of the technique for monitoring the progress of implantation in metals and ceramics is discussed.

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Hu, Cheng, Q. M. Jonathan Wu, Jun Shen, Shigeo Kotake, and Yasuyuki Suzuki. "Cubic BN formation by ion implantation." Thin Solid Films 402, no. 1-2 (January 2002): 117–20. http://dx.doi.org/10.1016/s0040-6090(01)01681-9.

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Clapham, L., J. L. Whitton, A. Mashayekhi, G. Carter, I. Katardjiev, and M. J. Nobes. "Effect of alloying on ion-bombardment-induced surface topography on face-centred cubic metals." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 48, no. 1-4 (March 1990): 571–75. http://dx.doi.org/10.1016/0168-583x(90)90185-w.

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Kim, Sang-Pil, Huck Beng Chew, Eric Chason, Vivek B. Shenoy, and Kyung-Suk Kim. "Nanoscale mechanisms of surface stress and morphology evolution in FCC metals under noble-gas ion bombardments." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 468, no. 2145 (May 23, 2012): 2550–73. http://dx.doi.org/10.1098/rspa.2012.0042.

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Here, we uncover three new nanoplasticity mechanisms, operating in highly stressed interstitial-rich regions in face-centred-cubic (FCC) metals, which are particularly important in understanding evolution of surface stress and morphology of a FCC metal under low-energy noble-gas ion bombardments. The first mechanism is the configurational motion of self-interstitials in subsonic scattering during ion bombardments. We have derived a stability criterion of self-interstitial scattering during ion embedding, which consistently predicts the possibility of vacancy- and interstitial-rich double-layer formation for various ion bombardments. The second mechanism is the growth by gliding of prismatic dislocation loops (PDLs) in a highly stressed interstitial-rich zone. This mechanism allows certain prismatic dislocations with their Burgers vectors parallel to the surface to grow in subway-glide mode (SGM) during ion bombardment. The SGM growth creates a large population of nanometre-sized prismatic dislocations beneath the surface. The third mechanism is the Burgers vector switching of a PDL that leads to unstable eruption of adatom islands during certain ion bombardments of FCC metals. We have also derived the driving force and kinetics for the growth by gliding of prismatic dislocations in an interstitial-rich environment as well as the criterion for Burgers vector switching, which consistently clarifies previously unexplainable experimental observations.

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Moriarty, John A., Lorin X. Benedict, James N. Glosli, Randolph Q. Hood, Daniel A. Orlikowski, Mehul V. Patel, Per Söderlind, Frederick H. Streitz, Meijie Tang, and Lin H. Yang. "Robust quantum-based interatomic potentials for multiscale modeling in transition metals." Journal of Materials Research 21, no. 3 (March 1, 2006): 563–73. http://dx.doi.org/10.1557/jmr.2006.0070.

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First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in transition metals and alloys within density-functional quantum mechanics. In the central body-centered cubic (bcc) metals, where multi-ion angular forces are important to materials properties, simplified model GPT (MGPT) potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect, and mechanical properties at both ambient and extreme conditions. Selected applications to multiscale modeling discussed here include dislocation core structure and mobility, atomistically informed dislocation dynamics simulations of plasticity, and thermoelasticity and high-pressure strength modeling. Recent algorithm improvements have provided a more general matrix representation of MGPT beyond canonical bands, allowing improved accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed for dynamic simulations, and the development of temperature-dependent potentials.

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Sliusarchuk, L. I., L. I. Zheleznova, S. V. Kuleshov, and O. K. Trunova. "Mono- and heterocomplexes of Co(II), Nd(III) with oxalic acid and phenanthroline: synthesis, structure and thermal decomposition." Voprosy Khimii i Khimicheskoi Tekhnologii, no. 3 (June 2022): 74–82. http://dx.doi.org/10.32434/0321-4095-2022-142-3-74-82.

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This work presents the results of studies aimed at determining the conditions for the synthesis of a new heterometallic complex of Co(II) and Nd(III) with oxalic acid in the presence of 1,10-phenanthroline, studying its composition, structure, thermal properties and its ability to form complex oxides. The hetero- and monocomplexes [Сo(C2O4)Phen]24Н2О, [Nd2(C2O4)32Phen], [Сo2Nd2(C2O4)52Phen]4Н2О (Phen – phenanthroline) were synthesized. The complexes were investigated by the following physicochemical research methods: elemental analysis, differential thermal analysis, IR- and diffuse reflection electronic spectroscopies, and X-ray powder diffraction. Based on the analysis of electronic and IR spectra, it was shown that ions of metals bind bidentately with ions of oxalates and with molecules of 1,10-phenanthroline. The structures of the ion of cobalt and ion of neodymium correspond to the distorted octahedron. The ions of metals are bound together by oxalate ligands. The powders of oxides were prepared by thermolysis of the heterocomplex up to 8000C and 10000C. The composition of the obtained oxide powders was controlled by X-ray powder diffraction. When the heterocomplex is heated to 8000C, in addition to the complex oxide NdCoO3, we obtained the following oxides: Nd2O3 (hexagonal crystal system), Nd2O3 (cubic crystal system) and Co3O4 (cubic crystal system). After heating to 10000C, a more pure complex oxide NdCoO3 was obtained. Neodymium cobaltate NdCoO3 crystallizes in the cubic crystal system, the unit cell parameter is a=3.770 Å, the cell volume is 53.568 Å3. The average crystallite size was calculated using the Scherrer formula, and it is equal to ~35 nm. The synthesized heterometallic complex [Сo2Nd2(C2O4)52Phen]4Н2О can be used as a precursor for the preparation of cobaltate of neodymium with lower energy consumption than in solid-phase synthesis.

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Moser, W. R., B. J. Marshik, J. Kingsley, M. Lemberger, R. Willette, A. Chan, J. E. Sunstrom, and A. Boye. "The synthesis and characterization of solid-state materials produced by high shear-hydrodynamic cavitation." Journal of Materials Research 10, no. 9 (September 1995): 2322–35. http://dx.doi.org/10.1557/jmr.1995.2322.

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A new method for the synthesis of complex metal oxides, based on hydrodynamic cavitation, was used to prepare pure phase, nanostructured solid-state materials. The continuous process afforded a wide variety of metal oxides in grain sizes of 1-10 nm. Catalysts, ceramics, superconductors, piezoelectrics, and zeolites were prepared by cavitational synthesis. The method enabled the synthesis of fine particles of metals and metal oxides supported on high surface area supports such as silica, and the synthesis of fine particles of cubic zirconia without ion modification.

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Kean Chin, Kee, and Say Leong Ong. "A Study of Reclamation of Sewage for Industrial Waters." Water Science and Technology 23, no. 10-12 (May 1, 1991): 2181–87. http://dx.doi.org/10.2166/wst.1991.0676.

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The performance of a 480 cubic metres per day water reclamation plant was evaluated. The treatment train of this plant was sand filtration or carbon adsorption −0.45 µm cartridge filtration - reverse osmosis desalting - zeolite ion exchange deionisation. The raw water used was reclaimed sewage which had been treated by the activated sludge system and polished by chemical coagulation and flocculation, multimedia sand filtration and chlorination. After the reverse osmosis step using the spiral wound cellulose acetate membrane most of the cations, anions and heavy metals present in the water were removed.

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Sharma, Anupam Deep, and M. M. Sinha. "Lattice Dynamics of Protonic Conductors AZrO₃ (A = Ba, Sr & Pb): A Comparative Study." Advanced Materials Research 685 (April 2013): 191–94. http://dx.doi.org/10.4028/www.scientific.net/amr.685.191.

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Recently, many investigations were devoted to the study of family of perovskite-type ABO3oxides. The material belongs to ABO3 perovskite oxides family like SrZrO3, BaZrO3, PbZrO3have many characteristics which are suitable for high-voltage and high-reliability capacitor applications. Many acceptor-doped perovskite-type oxides show high protonic conductivity at elevated temperatures. In addition to their reduced temperature operation relative to traditional oxide ion conductors such as Y-stabilized ZrO2, these perovskites, because of their proton transport properties, offer the possibility of application in a number of arenas including hydrogen sensors for molten metals and hydrogen pumps. In this work we are reporting the results of our theoretical investigation on the phonon properties of ABO3mainly BaZrO3, PbZrO3& SrZrO3in cubic phases. The phonon properties are calculated by using lattice dynamical simulation method based on de Launey angular force (DAF) constant model to understand the role of phonon in these systems. The phonon dispersion curves of these proton conductors in cubic phase are also drawn.

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10

Ensinger, W., and M. Kiuchi. "Cubic nitrides of the sixth group of transition metals formed by nitrogen ion irradiation during metal condensation." Surface and Coatings Technology 84, no. 1-3 (October 1996): 425–28. http://dx.doi.org/10.1016/s0257-8972(95)02808-0.

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11

Blatov, V. A., and M. V. Peskov. "A comparative crystallochemical analysis of binary compounds and simple anhydrous salts containing pyramidal anions LO3 (L = S, Se, Te, Cl, Br, I)." Acta Crystallographica Section B Structural Science 62, no. 3 (May 15, 2006): 457–66. http://dx.doi.org/10.1107/s0108768106011207.

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A comparative analysis of binary compounds and 61 simple anhydrous salts M y (LO3) z (L = S, Se, Te, Cl, Br, I) was performed using the crystallochemical program package TOPOS. A topological similarity was found between the salts and six types of binary compounds (NaCl, NiAs, PoCl2, Tl2S2, ZnTe, rutile). It is notable that these structure relationships are typical for other groups of inorganic salts: borates, carbonates, nitrates, orthophosphates, orthoarsenates, sulfates, selenates, perchlorates, molybdates and halogenides of d-metals. For all the M y (LO3) z compounds the topology and uniformity of the ion arrays were investigated. It has been established that in 36 out of the 61 salts at least one ion array has the topology of close packing or the body-centred cubic lattice. The results obtained have allowed us to come to conclusions about the structure-forming role of the arrays of various chemical composition.

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Bosi, Ferdinando. "Chemical and structural variability in cubic spinel oxides." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, no. 2 (March 28, 2019): 279–85. http://dx.doi.org/10.1107/s2052520619002282.

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The empirical relations between cubic spinel oxides of different compositions were investigated using data from 349 refined crystal structures. The results show that the spinel structure is able to tolerate many constituents (at least 36) by enlarging and decreasing the tetrahedra and octahedra. This is reflected in a large variation in tetrahedral and octahedral bond distances. The oxygen positional parameter (u) may be regarded as a measure of the distortion of the spinel structure from cubic close packing or of the angular distortion of the octahedron. The distortion can best be explained in terms of ionic potential (IP), which merges the size and charge properties of an ion. Sterically induced distortion depends on ion size, whereas electrostatically induced distortion is caused by cation–cation repulsion across faces of tetrahedra and shared edges of octahedra. The strong correlations between the u parameter and the IP at the T and M sites are consistent with the main role played by the both charge and size. Large distortions (u ≫ 0.27) result in oxygen–oxygen distances of the octahedron shorter than 2.50 Å, which would lead to structural instability because of increased non-bonded repulsion forces between the oxygen atoms.

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13

Phaneuf, Michael W., and Jian Li. "FIB Techniques for Analysis of Metallurgical Specimens." Microscopy and Microanalysis 6, S2 (August 2000): 524–25. http://dx.doi.org/10.1017/s143192760003511x.

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Focused ion beam (FIB) microscopes, the use of which is well established in the semiconductor industry, are rapidly gaining attention in the field of materials science, both as a tool for producing site specific, parallel sided TEM specimens and as a stand alone specimen preparation and imaging tool.Both FIB secondary ion images (FIB SII) and FIB secondary electron images (FIB SEI) contain novel crystallographic and chemical information. The ability to see “orientation contrast” in FIB SEI and to a lesser extent SII is well known for cubic materials and more recently stress-free FIB sectioning combined with FIB imaging have been shown to reveal evidence of plastic deformation in metallic specimens. Particularly in hexagonal metals, FIB orientation contrast is sometimes reduced or eliminated by the FIB sectioning process. We have successfully employed FIB gas assisted etching during FIB sectioning using XeF2 for zirconium alloys and Cl2 for zinc coatings on steels to retain orientation contrast during subsequent imaging.

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Ferry, Michael, M. Zakaria Quadir, Nasima Afrin Zinnia, Lori Bassman, Cassandra George, Cullen Mcmahon, Wan Qiang Xu, and Kevin J. Laws. "The Application of 3D-EBSD for Investigating Texture Development in Metals and Alloys." Materials Science Forum 702-703 (December 2011): 469–74. http://dx.doi.org/10.4028/www.scientific.net/msf.702-703.469.

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A focused ion beam (FIB) coupled with high resolution electron backscatter diffraction (EBSD) has emerged as a useful tool for generating crystallographic information in reasonably large volumes of microstructure. In principle, data generation is reasonably straightforward whereby the FIB is used as a high precision serial sectioning device for generating consecutive milled surfaces suitable for mapping by EBSD. However, there are several challenges facing the technique including the need for accurate reconstruction of the EBSD slice data and the development of methods for representing the myriad microstructural features of interest including, for example, orientation gradients arising from plastic deformation through to the structure of grains and their interfaces in both single-phase and multi-phase materials. This paper provides an overview of the use of 3D-EBSD in the study of texture development in alloys during deformation and annealing and includes an update on current research on the crystallographic nature of microbands in some body centred and face centred cubic alloys and the nucleation and growth of grains in an extra low carbon steel.

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Dapcevic, A., A. Radojkovic, M. Zunic, M. Pocuca-Nesic, O. Milosevic, and G. Brankovic. "Fast oxide-ion conductors in Bi2O3-V2O5 system: Bi108-xVxO162+x(x=4-9) with 3×3×3 superstructure." Science of Sintering 53, no. 1 (2021): 55–66. http://dx.doi.org/10.2298/sos2101055d.

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In this study, the possibility to stabilize O2-ion conductors in Bi2O3-V2O5 system was investigated. Six pseudo-binary Bi2O3-V2O5 mixtures [3.50 < x(V2O5) < 8.50 mol%] were thermally treated at 1000?C for 1 h. The samples were characterized by XRD, HRTEM/SAED, DTA and EIS techniques. The high-temperature reaction between ? Bi2O3 and V2O5 resulted in formation of microcrystalline single-phase specimens containing the phase based on ?-Bi2O3 if V2O5 content was ? 4.63 mol%. The obtained phases exhibited main diffraction peaks corresponding to the simple cubic ?-Bi2O3 (space group Fm-3m) but Rietveld refinement showed a threefold repeat on a simple cubic sublattice indicating that the true unit cell is 3?3?3 supercell. Within proposed supercell, the octahedrally coordinated V5+ ions fully occupy 4a Wyckoff position and partially occupy 32f. The Bi3+ ions are placed at the rest of 32f and at 24e and 48h with full occupation. In total, 22 % of anionic sites are vacant. The ionic conductivity of phase with the lowest dopant content, i.e. Bi 103V5O167, amounts 0.283 S cm-1 at 800?C with the activation energy of 0.64(5) eV, which is comparable to the undoped ?-Bi2O3 known as the fastest ion conductor.

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Kim, So Yeon, and Ju Li. "Porous Mixed Ionic Electronic Conductor Interlayers for Solid-State Batteries." Energy Material Advances 2021 (March 29, 2021): 1–15. http://dx.doi.org/10.34133/2021/1519569.

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Rechargeable solid-state batteries (SSBs) have emerged as the next-generation energy storage device based on lowered fire hazard and the potential of realizing advanced battery chemistries, such as alkali metal anodes. However, ceramic solid electrolytes (SEs) generally have limited capability in relieving mechanical stress and are not chemically stable against body-centered cubic alkali metals or their alloys with minor solute elements (β-phase). Swelling-then-retreating of β-phase often causes instabilities such as SE fracture and corrosion as well as the loss of electronic/ionic contact, which leads to high charge-transfer resistance, short-circuiting, etc. These challenges have called for the cooperation from other classes of materials and novel nanocomposite architectures in relieving stress and preserving essential contacts while minimizing detrimental disruptions. In this review, we summarize recent progress in addressing these issues by incorporating other classes of materials such as mixed ion-electron conductor (MIEC) porous interlayers and ion-electron insulator (IEI) binders, in addition to SE and metals (e.g., β-phase and current collectors) that are the traditional SSB components. In particular, we focus on providing theoretical interpretations on how open nanoporous MIEC interlayers manipulate β-phase deposition and stripping behavior and thereby suppress such instabilities, referring to the fundamental thermodynamics and kinetics governing the nucleation and growth of the β-phase. The review concludes by describing avenues for the future design of porous MIEC interlayers for SSBs.

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Qiu, Hua, Hongyu Zheng, Yuhong Jin, Qiong Yuan, Xu Zhang, Chenchen Zhao, Hao Wang, and Mengqiu Jia. "Mesoporous cubic SnO2-CoO nanoparticles deposited on graphene as anode materials for sodium ion batteries." Journal of Alloys and Compounds 874 (September 2021): 159967. http://dx.doi.org/10.1016/j.jallcom.2021.159967.

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Zhang, C. Q., J. P. Tu, X. H. Huang, Y. F. Yuan, X. T. Chen, and F. Mao. "Preparation and electrochemical performances of cubic shape Cu2O as anode material for lithium ion batteries." Journal of Alloys and Compounds 441, no. 1-2 (August 2007): 52–56. http://dx.doi.org/10.1016/j.jallcom.2006.09.106.

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Eyhusen, S., H. Hofsäss, and C. Ronning. "The role of ion energy on the growth mechanism of cubic boron nitride films." Thin Solid Films 447-448 (January 2004): 125–30. http://dx.doi.org/10.1016/s0040-6090(03)01082-4.

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Sechenykh, P. A. "Mathematical modeling of perspective structures of metal oxides." Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering 22, no. 4 (February 4, 2020): 268–71. http://dx.doi.org/10.17073/1609-3577-2019-4-268-271.

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Information about the structure and properties of materials is especially important when working with micro-and nanoscale objects due to the high complexity of their obtaining. This makes it relevant to use computer modeling to predict the required characteristics of materials. Electronic, magnetic, mechanical, and other properties of crystalline substances are determined by their structure-the periodicity of the lattice and the symmetry of the unit cell. This article discusses metal oxides with the general chemical formulas MeO (metals: Ca, Cd, Mg), MeO2 (metals: Hf, Ce, Zr), Me2O3 (metals: Er, Nd, Sc, Mn, Tl) and Me3O4 (using Fe as an example) and a cubic symmetry type crystal lattice — structural types NaCl (rock salt), Fluorite, Bixbyite, Spinel accordingly. The paper describes the model of ion-atomic radii, which is widely used in the modeling of crystalline metal oxides. The application of the annealing simulation algorithm for calculating the metric parameters of the compounds under consideration is shown. The software implementation of the algorithm presented in this paper allows us to determine the coordinates of the atoms that are included in the elementary cell of the crystal lattice, calculate the lattice constant and the density of the packing of atoms in the crystal cell using the specified chemical formula and the space group symmetry. These structural characteristics can be used as input parameters for determining electronic, magnetic, and other properties. The article compares the values of lattice constants obtained as a result of modeling with experimental data.

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Lima, Sayonara Emmanuela Santos de Jesus, Edielen F. dos Santos, Maria E. B. R. Bello, and Paulo N. M. dos Anjos. "Analysis of Europium Doped Strontium Aluminate Synthesized by Route of PVA Evaporation." Materials Science Forum 930 (September 2018): 95–100. http://dx.doi.org/10.4028/www.scientific.net/msf.930.95.

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In this work strontium aluminate doped with trivalent europium ion was prepared by the method of evaporation of poly vinyl alcohol and their luminescence, structural and thermal properties were investigated. The samples were characterized by thermal differential and thermogravimetry analysis, structural analysis was performed by X-ray diffraction and Fourier transform infrared spectroscopy and luminescence by fluorescence emission spectroscopy. The thermal analysis of aluminate samples showed two mass losses accompanied by endothermic and exothermic processes during the calcination process, not depending on the time employed in calcination. The infrared spectra exhibited characteristic bands of the metals involved in the synthesis of the material demonstrating the formation of strontium aluminate. The diffratogram patterns showed the formation of cubic phase Sr3Al2O6. The fluorescence characterization showed two emission bands attributed to matrix and europium excited states and it was observed that as the calcination time and temperature were increased, the emission of europium in the material was less efficient.

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Mills, S. J., S. L. Hager, P. Leverett, P. A. Williams, and M. Raudsepp. "The structure of H3O+-exchanged pharmacosiderite." Mineralogical Magazine 74, no. 3 (June 2010): 487–92. http://dx.doi.org/10.1180/minmag.2010.074.3.487.

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AbstractThe crystal structure of H3O+-exchanged pharmacosiderite (pharmacosiderite is KFe4(AsO4)3(OH)4·nH2O, sensu stricto) has been determined by single-crystal X-ray diffraction and refined to R1 = 0.0418. H3O+-exchanged pharmacosiderite, (H3O+)Fe4(AsO4)3(OH)4·4.5H2O, is cubic, space group Pm, with a = 7.982(9) Å, V = 508.5(9) Å3 and Z = 1. The structure broadly conforms to that of the general pharmacosiderite structure type, with the hydronium ion generated by partial protonation of a site corresponding to a molecule of water of crystallization and its symmetry-related equivalents. In addition, the structure of a “pharmacosiderite” from Cornwall, United Kingdom, in which no alkali metals could be detected, has been re-evaluated and found to be consistent with that of the H3O+- exchanged structure. Its composition is (H3O+)Fe4(AsO4)3(OH)4·4H2O, with the partially occupied water found for the exchanged structure at (½, ½, ½) being absent in this case.

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Nadgorny, Edward M., Dennis M. Dimiduk, and Michael D. Uchic. "Size effects in LiF micron-scale single crystals of low dislocation density." Journal of Materials Research 23, no. 11 (November 2008): 2829–35. http://dx.doi.org/10.1557/jmr.2008.0349.

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This study examines the size-dependent deformation response of pure LiF single crystals using microcompression testing. Microcrystals with an 〈001〉 orientation and sample diameter D ranging from 1 to 20 μm were fabricated by focused ion beam (FIB)-milling from bulk crystals having a low initial dislocation density. Both as-grown and γ-irradiated crystals were examined to characterize the effect of an increased point defect density on the size-affected plastic flow response. Similar to previously studied face-centered cubic (FCC)-derivative metals, both types of LiF microcrystals exhibit typical size-dependent plastic flow behavior: a dramatic size-dependent and statistically varying flow stress, atypically high strain hardening rates at small plastic strains, and fast intermittent strain bursts. The size-dependent strengthening obeys a power law, σ ∼ D−m, where m ≈ 0.8, and this rapid hardening results in engineering flow stresses of 650 MPa in 1-μm samples. The findings are evaluated against possible dislocation mechanisms that could be responsible for the observed size effects.

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Zayachuk, D. M., Y. D. Zayachuk, V. E. Slynko, T. Fodor, and A. Csík. "Formation of pseudo-hexagonal pyramidal structures on (111) crystallographic surfaces of cubic PbTe crystals by ion sputtering." Journal of Alloys and Compounds 924 (November 2022): 166628. http://dx.doi.org/10.1016/j.jallcom.2022.166628.

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Prieto, Pilar, Juan de la Figuera, José M. Sanz, and José F. Marco. "Effects of low energy ion bombardment on the formation of cubic iron mononitride thin films." Thin Solid Films 539 (July 2013): 35–40. http://dx.doi.org/10.1016/j.tsf.2013.04.141.

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Kushnerov, O. I., S. I. Ryabtsev, and V. F. Bashev. "Structure and properties of ion-plasma deposited films of CoCrFeMiMn high-entropy alloy." Journal of Physics and Electronics 30, no. 2 (December 30, 2022): 59–62. http://dx.doi.org/10.15421/332220.

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High-entropy Co19Cr18Fe22Mn21Ni20 thin films were obtained by the modernized method of three-electrode ion-plasma sputtering of mosaic targets consisting of pure metals. The structure, electrical resistance, and magnetic properties of films were investigated. Single diffuse halo was seen on the XRD patterns of the as-deposited films, which confirms their amorphous structure. Some of the thin films, which were annealed at 900 K in a vacuum, were identified to be oxidized by a small amount of oxygen in the work chamber. After the heat treatment, the Co19Cr18Fe22Mn21Ni20 films were transformed from an amorphous state into a crystallized FCC solid solution with the lattice parameter a=0.3613 nm. Also, the cubic B2 phase of FeCo with a lattice parameter of 0.2857 nm was formed in the annealed films. As a result of oxidation processes, a dispersed phase of manganese oxide also arose after annealing. The temperature dependencies of electrical resistivity of films were measured by the four-point technique upon continuously heating in the high vacuum. Both as-deposited and annealed films clearly revealed a typical ferromagnetic behavior. The as-deposited high-entropy film exhibited the soft magnetic properties while the annealed films could be attributed to hard magnetic materials.

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Hawass, Zahraa, and Forat AlJaberi. "Effect of mono and bipolar connection modes on the electrocoagulation removal efficiency of multi-heavy metals from simulated wastewater." Al-Qadisiyah Journal for Engineering Sciences 15, no. 1 (2022): 048–54. http://dx.doi.org/10.30772/qjes.v15i1.813.

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Electrochemical treatment methods are frequently used to remove a wide range of pollutants from wastewaters generated by domestic and industrial operations. This work aims to investigate the impacts of using monopolar and bipolar connection modes of an electrocoagulation reactor (ECR) used to remove multi-toxic metals from synthetic wastewater. The present design of the ECR involves concentric-multi-cubic (CMC) aluminum electrodes with an activated area of 360 cm2. The anode electrodes are perforated to be light-weight and decrease the amount of anode consumption as well as the increase of oxygen bubbles released that were assisting the buoyancy process of light-pollutants toward the surface of the solution in addition to the hydrogen bubbles are released from the plane electrodes of the cathode. The synthetic wastewater contains 100 ppm of each Pb, Cd, and Cu ion under the effects of pH of 7, applied current of 1.4 A (which equals remove to 3.88 mA/cm2), NaCl of 2 g, 300 rpm of stirring speed, and reaction time of (0-90 min). The core results proved that the bipolar connection mode (BCM) was more effective than the monopolar connection mode (MCM) in toxic metal-wastewater treatment. After 60 min of the reaction time, the highest removal efficiencies of these metals After a reaction timeof 60 min, the highest removal efficiencies of Pb, Cd, and Cu metals obtained via the BCM system were : 99.91%, 99.68%, and 99.14%, respectively 99.91%, 99.68%, and 99.14%, respectively. While they achieved 60.55%, 64.24%, and 89.55% via the MCM system , . re spectively The present new design of electrodes using the bipolar system was more reliable in wastewater treatment containing toxic metals with significantly low values of electrical energy consumption, electrode consumption, and cost-effectiveness

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Zhang, Shengqiang, Zehua Wang, Xuejiao Hu, Ruiyu Zhu, Xiaojie Liu, and Hui Wang. "Building Zn-Fe bimetal selenides heterostructures caged in nitrogen-doped carbon cubic for lithium and sodium ion batteries." Journal of Alloys and Compounds 863 (May 2021): 158329. http://dx.doi.org/10.1016/j.jallcom.2020.158329.

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Saikia, Diganta, Juti Rani Deka, Chieh-Ju Chou, Hsien-Ming Kao, and Yung-Chin Yang. "3D interpenetrating cubic mesoporous carbon supported nanosized SnO2 as an efficient anode for high performance lithium-ion batteries." Journal of Alloys and Compounds 791 (June 2019): 892–904. http://dx.doi.org/10.1016/j.jallcom.2019.03.331.

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Melník, Milan, Peter Mikuš, and Clive Holloway. "Crystallographic and structural characterization of heterometallic platinum complexes Part VI. Heterohexanuclear complexes." Open Chemistry 12, no. 11 (November 1, 2014): 1101–26. http://dx.doi.org/10.2478/s11532-014-0558-7.

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AbstractThis review classifies and analyzes heterohexanuclear platinum clusters into seven types of metal combinations:Pt5M, Pt4M2, Pt3M3, Pt2M4, PtM5, Pt2M3M′, and Pt2M2M2′. The crystals of these clusters generally belong to six crystal classes: monoclinic, triclinic, orthorhombic, tetragonal, trigonal and cubic. Among the wide range of stereochemistry adopted by these clusters, octahedral and capped square-pyramidal are the most common. Although platinum is classified as a soft metal atom, it bonds to a variety of soft, borderline and hard metals. Nineteen different heterometal ions are involved in hexanuclear platinum clusters. The shortest Pt-M bond distance in the case of M being a non-transition element is 2.395(4) Å for germanium and for M being a transition metal ion it is 2.402(2) Å for Cobalt. The shortest Pt-Pt bond distance observed in these clusters is 2.532 Å. Several relationships between the structural parameters are identified and discussed. Some clusters exist in two isomeric forms and some show crystallographically independent molecules within the same crystal. Such isomers and independent molecules are examples of distortion isomerism.

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Wang, Yixuan, Gengwei Li, Kun Shen, and Enke Tian. "The effect of grain boundary on Na ion transport in polycrystalline solid-state electrolyte cubic Na3PS4." Materials Research Express 8, no. 2 (February 1, 2021): 025508. http://dx.doi.org/10.1088/2053-1591/abe7b1.

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Zhang, Qian, Bing Lin, Junming Hong, and Chang-Tang Chang. "Removal of ammonium and heavy metals by cost-effective zeolite synthesized from waste quartz sand and calcium fluoride sludge." Water Science and Technology 75, no. 3 (October 31, 2016): 587–97. http://dx.doi.org/10.2166/wst.2016.508.

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This study focuses on the effectiveness of zeolite (10% CF-Z [0.5]) hydrothermally synthesized from waste quartz sand and calcium fluoride (CF) for ammonium ion and heavy metal removal. Zeolite was characterized through powder X-ray diffraction, Fourier-transform infrared spectroscopy, micromeritics N2 adsorption/desorption analysis, and field emission scanning electron microscopy. The effects of CF addition, Si/Al ratio, initial ammonium concentration, solution pH, and temperature on the adsorption of ammonium on 10% CF-Z (0.5) were further examined. Results showed that 10% CF-Z (0.5) was a single-phase zeolite A with cubic-shaped crystals and 10% CF-Z (0.5) efficiently adsorbs ammonium and heavy metals. For instance, 91% ammonium (10 mg L−1) and 93% lead (10 mg L−1) are removed. The adsorption isotherm, kinetics, and thermodynamics of ammonium adsorption on 10% CF-Z (0.5) were also theoretically analyzed. The adsorption isotherm of ammonium and lead on 10% CF-Z (0.5) in single systems indicated that Freundlich model provides the best fit for the equilibrium data, whereas pseudo-second-order model best describes the adsorption kinetics. The adsorption degree of ions on 10% CF-Z (0.5) in mixed systems exhibits the following pattern: lead > ammonium > cadmium > chromium.

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Zakalyukin, R. M., E. A. Levkevich, and A. V. Nikolaeva. "Synthesis and X-ray-graphical characteristics of the MеSn<sub>2</sub>F<sub>5</sub> (Mе = Na, K, Rb, Cs) fluoride-ion conductors." Fine Chemical Technologies 16, no. 5 (November 28, 2021): 426–37. http://dx.doi.org/10.32362/2410-6593-2021-16-5-426-437.

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Objectives. Pentafluorodistannates of alkali metals are promising materials for use as electrolytes in fluoride-ion batteries due to their electrophysical properties, such as high fluoride-ion conductivity. This work aims to synthesize crystals of alkali metals MeSn2F5 (Me = Na, K, Rb, Cs), carry out X-ray diffraction studies on them, and investigate the possibility of obtaining lithium fluorostannates.Methods. Supersaturated aqueous solutions were employed to synthesize the crystals. The X-ray diffraction (XRD) analysis was carried out.Results. Oversaturated solutions yield microcrystalline powders of sodium, potassium, rubidium, and cesium pentafluorodistannates. The presence of a single-phase was confirmed by XRD analysis of the powders corresponding to the MеSn2F5 (Mе = Na, K, Rb, Cs) composition. XRD data analysis and literature indicated that MеSn2F5 (Mе = K, Rb, Cs) have a fluorite-like structure, with the cations forming three-layer closest packing. The RbSn2F5 compound was discovered to be isostructural to KSn2F5. Based on this discovery, RbSn2F5 was reindexed to a hexagonal unit cell with parameters a = 7.40(3) Å, с = 10.12(6) Å (KSn2F5 P3, a = 7.29(3) Å, с = 9.86(2) Å). The CsSn2F5 compound was reindexed to a monoclinic unit cell (a = 10.03(4) Å, b = 5.92(7) Å, c = 11.96(9) Å, β = 107.4(5)°). A crystallochemical analysis of the pentafluorodistannates was carried out, and common structural motifs were discovered. The motifs are similar to lead tetrafluorostannate PbSnF4, the best fluoride-ion conductor. The effect of the pentafluorodistannates structures on the ionic conductivity is considered. The LiF–SnF2 system contains no compounds; the compositions were obtained by melting the original fluorides. Conclusions. MеSn2F5 (Mе = Na, K, Rb, Cs) were synthesized and investigated by XRD analysis. The structural characteristics of the RbSn2F5 and CsSn2F5 compounds have been redefined. The crystallochemical structure is analyzed in relation to the electrophysical properties of the alkali metal pentafluorodistannates. Pentafluorodistannates MеSn2F5 (Mе = K, Rb, Cs) have a fluorite-like structural motif with cubic parameters а = 5.694 Å (KSn2F5), а = 5.846 Å (RbSn2F5), а = 6.100 Å (CsSn2F5), with the cations forming three-layer closest packing. The cationic layers alternate like Me–Sn–Sn–Me (Mе = K, Rb, Cs). For KSn2F5 and RbSn2F5, they are normal to the three-fold axis and normal to the four-fold axis in the case of CsSn2F5.

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Ferry, Michael, Wan Qiang Xu, Nora Mateescu, Julie M. Cairney, and John F. Humphreys. "On the Viability of FIB Tomography for Generating 3-D Orientation Maps in Deformed and Annealed Metals." Materials Science Forum 550 (July 2007): 55–64. http://dx.doi.org/10.4028/www.scientific.net/msf.550.55.

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A typical dual-beam platform combines a focussed ion beam (FIB) microscope with a field emission gun scanning electron microscope (FEGSEM). Using this platform, it is possible to sequentially mill off > ~ 50 nm slices of a material by FIB and characterise, at high resolution, the crystallographic features of each new surface by electron backscatter diffraction (EBSD). The successive images can be combined to generate 3-D crystallographic maps of the microstructure. This paper describes various aspects of 3-D FIB tomography in the context of understanding the microstructural evolution of metals during deformation and annealing. The first part of the paper describes the influence of both metal type and milling parameters on the quality of EBSD patterns generated from a surface prepared by FIB milling. Single crystals of some face centred cubic metals were examined under varying FIB milling parameters to optimise EBSD pattern quality. It was found that pattern quality improves with increasing atomic number with the FIB milling parameters needed to be adjusted accordingly. The second part of the paper describes a useful technique for FIB milling for the reliable reconstruction of 3-D microstructures using EBSD. There is an initial procedure involving extensive milling to generate a protruding rectangular-shaped volume at the free surface. Serial sectioning is subsequently carried out on this volume. The technique was used to investigate the recrystallization behaviour of a particle-containing nickel sample, which revealed a number of features of the recrystallizing grains that are not clearly evident in 2-D EBSD micrographs.

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Zhao, Man, and Bai Xin Liu. "Formation of an Face-Centered Cubic Ta-Rich Solid Solution by Ion Beam Mixing in the Immiscible Ag-Ta System." Metallurgical and Materials Transactions A 41, no. 10 (June 22, 2010): 2480–84. http://dx.doi.org/10.1007/s11661-010-0337-9.

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Wang, Pei, Shanmin Wang, Yongtao Zou, Jinlong Zhu, Duanwei He, Liping Wang, and Yusheng Zhao. "Novel Nitride Materials Synthesized at High Pressure." Crystals 11, no. 6 (May 29, 2021): 614. http://dx.doi.org/10.3390/cryst11060614.

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Nitride materials including conventional manmade superhard light-element nitrides, such as cubic boron nitride (cBN), cubic silicon nitride (γ-Si3N4), and carbonitrides, have been extensively used for machining (e.g., turning, cutting, grinding, boring, drilling) and coating of ferr ous alloys due to their remarkable performances of high rigidity, high melting-point, and prominent chemical and thermal stabilities. However, to some degree, superhard nitrides merely compensate for the adverse limitations of diamond: reaction (with iron), oxidation, and graphitization at moderate temperatures; they are still unable to dominate the market owing to their relatively low hardness when compared to diamond. Therefore, recent efforts toward the preparation of nitride materials with outstanding mechanical performance and chemical inertness have focused on synthesizing ternary light-element nitride compounds and harvesting the effect of work hardening through microstructure manipulations. These new light-element nitrides are potential candidates to displace diamond in the cutting business. On the other hand, incorporation of transition-metal atoms into the dinitrogen triple-bond can form novel hard transition-metal nitride alloys (TMNAs), such as Mo-N, W-N, Pt-N, Ir-N, Os-N, etc., which are potential candidates for the cutting, coating, and polishing of iron-group metals. However, synthesis of high-crystallinity and stoichiometric TMNAs via traditional routes is challenging, since the embedded nitrogen in the transition-metal lattice is thermodynamically unfavorable at ambient condition. A novel approach involving ion-exchange reactions under moderate pressure and temperature has been developed in recent years for preparation of well-crystallized stoichiometric TMNAs, which have quickly been realized as emergent materials in electronics, catalysts, and superconductors as well.

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Sobol, O. V., O. N. Grigoryev, YU A. Kunitsky, S. N. Dub, A. A. Podtelezhnikov, and A. N. Stetsenko. "Peculiarities of structure state and mechanical characteristics in ion-plasma condensates of quasibinary system borides W2B5-TiB2." Science of Sintering 38, no. 1 (2006): 63–72. http://dx.doi.org/10.2298/sos0601063s.

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In order to create high-durable, wear-resistant materials for a wide range of functional applications, comparative investigations of the structure and mechanical characteristics of ion-plasma Ti-W-B nano-crystalline condensates were carried out. The range of condensation rates 0.11?0.25nm/s was found to be critical for the coatings obtained from the target with 80 vol% W2B5-20 vol% TiB2. Below this, a phase with a cubic lattice (W,Ti)B0.7?1.2(O,N,C)0.3?0.2 formed, while over this range, a solid solution (W,Ti)B2 with a hexagonal lattice and element composition close to the sputtered target was observed. The structure state of the material changed from cluster-crystalline (under low sputter potentials U=0.6?1.0 kV) to textured- crystalline (under U>2.2 kV). Structure perfection improvement with U increase results in higher hardness and elastic modulus of condensates. The conditions of cluster component formation and its effect on hardness and elastic modulus of condensates are discussed. .

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Tian, Shuai, Feng Xu, Peng Ye, Jinxin Wu, Yousheng Zou, and Dunwen Zuo. "Deposition of cubic boron nitride films by anode layer linear ion source assisted radio frequency magnetron sputtering." Thin Solid Films 653 (May 2018): 13–18. http://dx.doi.org/10.1016/j.tsf.2018.03.005.

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Singhal, S. C. "Science and Technology of Solid-Oxide Fuel Cells." MRS Bulletin 25, no. 3 (March 2000): 16–21. http://dx.doi.org/10.1557/mrs2000.13.

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The high oxygen-ion conductivity over wide ranges of temperature and oxygen pressure in stabilized cubic zirconia has led to its use as a solid-oxide electrolyte in a variety of electrochemical applications. Zirconia-based oxygen sensors are widely used for combustion control, especially in automobiles, for atmosphere control in furnaces, and as monitors of oxygen concentration in molten metals. Other applications include electrochemical pumps for control of oxygen potential, steam electrolyzers, and high-temperature solidoxide fuel cells (SOFCs). High-temperature SOFCs offer a clean, pollution-free technology to electrochemically generate electricity at high efficiencies. These fuel cells provide many advantages over traditional energy-conversion systems, including high efficiency, reliability, modularity, fuel adaptability, and very low levels of NOx and SOx emissions. The quiet, vibrationfree operation of SOFCs also eliminates the noise usually associated with conventional power-generation systems. Furthermore, because of the high temperature of operation (~1000°C) of SOFCs, naturalgas fuel can be reformed within the cell stack, eliminating the need for an expensive external reformer system. Also, pressurized SOFCs can be successfully used as replacements for combustors in gas turbines; such hybrid SOFC/gas-turbine power systems are expected to reach efficiencies approaching 70%.

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Bonilla, Mauricio R., Fabián A. García Daza, Javier Carrasco, and Elena Akhmatskaya. "Exploring Li-ion conductivity in cubic, tetragonal and mixed-phase Al-substituted Li7La3Zr2O12 using atomistic simulations and effective medium theory." Acta Materialia 175 (August 2019): 426–35. http://dx.doi.org/10.1016/j.actamat.2019.06.033.

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Parkin, Calvin, Michael Moorehead, Mohamed Elbakhshwan, Jing Hu, Wei-Ying Chen, Meimei Li, Lingfeng He, Kumar Sridharan, and Adrien Couet. "In situ microstructural evolution in face-centered and body-centered cubic complex concentrated solid-solution alloys under heavy ion irradiation." Acta Materialia 198 (October 2020): 85–99. http://dx.doi.org/10.1016/j.actamat.2020.07.066.

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42

Lee, Seung-Min, Tae-Yeon Seong, Wook-Seong Lee, Young-Joon Baik, and Jong-Keuk Park. "Growth behavior of cubic boron nitride (cBN) phase in B-C-N film deposited on Si substrate with non-uniform ion flux." Metals and Materials International 19, no. 3 (May 2013): 591–95. http://dx.doi.org/10.1007/s12540-013-3031-9.

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Culubrk, S., V. Lojpur, V. Djordjevic, and M. D. Dramicanin. "Annealing and doping concentration effects on Y2O3: Sm3+ nanopowder obtained by self-propagation room temperature reaction." Science of Sintering 45, no. 3 (2013): 323–29. http://dx.doi.org/10.2298/sos1303323c.

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In this report, structure, morphology and luminescence of Y2O3:Sm3+ nanoparticles prepared by self-propagating room temperature reaction are presented. This new, simple and cost effective synthesis allows obtaining desired phase composition by mixing appropriate amounts of yttrium and samarium nitrates together with sodium hydroxide. A set of samples is prepared with different Sm3+ concentrations (0.1, 0.2, 0.5, 1 and 2 at %) in order to observe changes of luminescence properties. Also, effects of post synthesis annealing at several temperatures (600?C, 800?C and 1100?C) are analyzed. For all samples X-ray diffraction showed that powders have cubic bixbyite structure (Ia-3), and TEM analysis showed particles of less than 100 nm. Luminescence emission spectra clearly show peaks characteristic for electronic spin-forbidden transition of Sm3+ ions 4G5/2?6H5/2, 6H7/2 and 6H9/2 centered at 578, 607 and 654 nm, respectively. Emission lifetime values decrease with Sm3+ ion concentration increment, from 1.94 ms for 0.1 at% to 0.97 ms for 2 at%. In addition, enlargement of lifetime value is observed when thermal treatment is done at the highest temperature due to the elimination of luminescence quenching species from the surface of particles.

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Lee, Seung-Min, Tae-Yeon Seong, Wook-Seong Lee, Young-Joon Baik, and Jong-Keuk Park. "Erratum to: Growth Behavior of Cubic Boron Nitride (cBN) Phase in B-C-N Film Deposited on Si Substrate with Non-Uniform Ion Flux." Metals and Materials International 19, no. 4 (July 2013): 902. http://dx.doi.org/10.1007/s12540-013-3036-4.

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45

Shyichuk, Andrii, Dagmara Kulesza, and Eugeniusz Zych. "Defects in hafnium-doped lutetium oxide and the corresponding electron traps: a meta-generalized gradient approximation study." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 78, no. 3 (May 28, 2022): 564–75. http://dx.doi.org/10.1107/s205252062200436x.

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A number of Lu2O3-based materials were reported to present efficient capability of trapping excited charge carriers in metastable excited states formed either by specific dopants or naturally occurring defects. Over the years, abundant experimental data have been collected, which were taken as a solid ground to treat the problem using computational chemistry. Density functional theory (DFT) calculations with an advanced meta generalized gradient approximation (mGGA) functional were used to analyze electron trapping in cubic Lu2O3 doped with Hf. Individual ions of dopant and nearest-neighbor dopant ion pairs were considered. The effects of interstitial anions such as O2− and Cl− were analyzed. In most of the analyzed cases the additional electron charge is localized at the dopant site. However, in many of the studied cases, the dopant/defect states overlap with the conduction band and cannot correspond to electron trapping. The Hf3+ ion in the Lu site of C 3i local symmetry ({\rm Hf}^{\times}_{{\rm Lu}-C_{\rm 3i}}) corresponds to a moderate trap depth of 0.8–0.9 eV. Several composite defects corresponding to deeper (1.1–1.4 eV) traps also exist. Unambiguous deep traps (1.5–1.8 eV) correspond to systems with Hf dopant in the cationic void, accompanied by two interstitial oxygen atoms. The results thus indicate that basic `Hf-substitutes-Lu' doping is unlikely to correspond to the deep traps observed experimentally in Lu2O3:Tb,Hf andLu2O3:Pr,Hf and more complex defects must be involved.

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Koshtyal, Yury, Ilya Mitrofanov, Denis Nazarov, Oleg Medvedev, Artem Kim, Ilya Ezhov, Aleksander Rumyantsev, Anatoly Popovich, and Maxim Yu Maximov. "Atomic Layer Deposition of Ni-Co-O Thin-Film Electrodes for Solid-State LIBs and the Influence of Chemical Composition on Overcapacity." Nanomaterials 11, no. 4 (April 2, 2021): 907. http://dx.doi.org/10.3390/nano11040907.

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Nanostructured metal oxides (MOs) demonstrate good electrochemical properties and are regarded as promising anode materials for high-performance lithium-ion batteries (LIBs). The capacity of nickel-cobalt oxides-based materials is among the highest for binary transition metals oxide (TMOs). In the present paper, we report the investigation of Ni-Co-O (NCO) thin films obtained by atomic layer deposition (ALD) using nickel and cobalt metallocenes in a combination with oxygen plasma. The formation of NCO films with different ratios of Ni and Co was provided by ALD cycles leading to the formation of nickel oxide (a) and cobalt oxide (b) in one supercycle (linear combination of a and b cycles). The film thickness was set by the number of supercycles. The synthesized films had a uniform chemical composition over the depth with an admixture of metallic nickel and carbon up to 4 at.%. All samples were characterized by a single NixCo1-xO phase with a cubic face-centered lattice and a uniform density. The surface of the NCO films was uniform, with rare inclusions of nanoparticles 15–30 nm in diameter. The growth rates of all films on steel were higher than those on silicon substrates, and this difference increased with increasing cobalt concentration in the films. In this paper, we propose a method for processing cyclic voltammetry curves for revealing the influence of individual components (nickel oxide, cobalt oxide and solid electrolyte interface—SEI) on the electrochemical capacity. The initial capacity of NCO films was augmented with an increase of nickel oxide content.

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Yang, Qiang, Zeyang Luo, Pei Zhu, Yunhe Wei, Huan Wang, Duanting Yan, Dejun Wang, and Runru Liu. "Effect of Gd and Ti co-doping on electrical performance of Bi₂O₃ oxygen ion conductor." Materials Research Express 9, no. 1 (January 1, 2022): 015004. http://dx.doi.org/10.1088/2053-1591/ac4880.

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Abstract In this study, a new oxygen ion conductor electrolyte material with high conductivity was reported. Bi2O3 was co-doped with Gd2O3 and TiO2 by solid-phase synthesis method to obtain Bi1–3xGd2xTixO1.5+δ and Bi0.76Gd0.18−xTixO1.5+δ (TGSB) ceramics. The phase composition, surface morphology and electrical properties of TGSB samples were characterized by x-ray diffraction (XRD), scanning electron microscope (SEM) and AC impedance respectively. XRD results show that only 6T12GSB has a single cubic fluorite structure, and impurity phases appear in other samples. The SEM results show that only when the doping concentrations of Gd and Ti are 12 mol% and 6 mol% respectively, the particle size is relatively smaller and there are no obvious pores. From the analysis of electrical properties, Gd dopant is helpful to the stability of the Bi2O3 phase than Ti dopant, but not beneficial to higher conductivity. When the doping concentration of Gd is higher than 16 mol%, it becomes more stable. The conductivity of the 6T12GSB sample is relatively high. The conductivity of the TGSB samples is higher than that of the TLSB samples under the lower temperature condition (<450 °C), and the electrical performance of Bi2O3-based materials are enhanced especially at low temperature.

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Redhammer, Günther J., Martin Meven, Steffen Ganschow, Gerold Tippelt, and Daniel Rettenwander. "Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li6La3ZrTaO12: an in situ temperature-dependence investigation (2.5 ≤ T ≤ 873 K)." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 77, no. 1 (January 26, 2021): 123–30. http://dx.doi.org/10.1107/s2052520620016145.

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Large single crystals of garnet-type Li6La3ZrTaO12 (LLZTO) were grown by the Czochralski method and analysed using neutron diffraction between 2.5 and 873 K in order to fully characterize the Li atom distribution, and possible Li ion mobility in this class of potential candidates for solid-state electrolyte battery material. LLZTO retains its cubic symmetry (space group Ia 3 d) over the complete temperature range. When compared to other sites, the octahedral sites behave as the most rigid unit and show the smallest increase in atomic displacement parameters and bond length. The La and Li sites show similar thermal expansion in their bond lengths with temperature, and the anisotropic and equivalent atomic displacement parameters exhibit a distinctly larger increase at temperatures above 400 K. Detailed inspection of nuclear densities at the Li1 site reveal a small but significant displacement from the 24d position to the typical 96h position, which cannot, however, be resolved from the single-crystal X-ray diffraction data. The site occupation of LiI ions on Li1 and Li2 sites remains constant, so there is no change in site occupation with temperature.

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Kasenov, Bulat К., Shuga B. Kasenova, Zhenisgul I. Sagintaeva, Yerbolat Y. Kuanyshbekov, and Meruert O. Turtubaeva. "SYNTHESIS AND STUDY OF THERMODYNAMIC PROPERTIES OF NEW ZINCATE-MANGANITES NdM2IIZnMnO6 (MII − Mg, Ca)." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 61, no. 3 (February 27, 2018): 16. http://dx.doi.org/10.6060/tcct.20186103.5628.

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Zincate-manganites with the composition NdM2IIZnMnO6 (MII− Mg, Ca) were synthesized using ceramic technology from oxides of Nd (III), Zn (II), Mn (III) and carbonates of alkaline-earth metals - magnesium and calcium. X-ray patterns of the prepared substancies were measured on a DRON-2.0 diffractometer. We established that they crystallize in the cubic system with the following unit cell parameters: NdMg2ZnMnO6 – а=13.927±0.035 Å, Z = 4, V0 = 2701.36±0.11 Å3, V0el.cell. = 675.34±0.03 Å3, ρX-ray = 4.20, ρpycn. = 4.19±0.01 g/cm3; NdCa2ZnMnO6 – а=13.910±0.030 Å, Z = 4, V0 = 2691.45±0.10 Å3, V0el.cell. = 672.86±0.03 Å3, ρX-ray = 4.04, ρpycn. = 4.01±0.08 g/сm3. The temperature dependence of the heat capacity of NdMg2ZnMnO6 and NdCa2ZnMnO6 was studied by dynamic calorimetry in the range of 298.15-673 K on the IT-S-400 calorimeter. Five parallel experiments were performed at each temperature point with 25 K step. The results were averaged and analyzed using mathematical statistics. As a result of calorimetric studies of the heat capacity, within the temperature range of 298.15-673 K, we discovered on the curves of the temperature dependence of heat capacity the phase transitions of the II kind at the following temperatures: 373, 548 К- NdMg2ZnMnO6, 448, 573 К – NdCa2ZnMnO6. These phase transitions were probably due to Schottky effects -the transition from semiconductivity to metallic conductivity, and variations in capacity, dielectric permittivity, the occurrence of Curie or Neel points. The equations of the temperature dependence of the heat capacity were derived on the basis of the experimental values with account the temperatures of the phase transitions. By the ion increment method, we calculated the standard entropies of the compounds investigated. We calculated the temperature dependences of С°р(Т) and thermodynamic functions Н°(Т)-Н°(298.15), S°(T) and Фхх(Т).Forcitation:Kasenov B.K., Kasenova Sh.B., Sagintaeva Zh.I., Kuanyshbekov Е.Е., Turtubaeva М.О. Synthesis and study of thermodynamic properties of new zincate-manganites NdM2IIZnMnO6 (MII − Mg, Ca). Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2018. V. 61. N 3. P. 16-20

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Zhang, Li, Liang Yin, Weiqun Li, Hou Xu, B. Layla Mehdi, and Nuria Tapia Ruiz. "(Digital Presentation) Regulating Anion Redox during Cycling of Spinel LiMn_1.5Ni_0.5O₄ As Cathodes for Lithium Ion Batteries." ECS Meeting Abstracts MA2022-01, no. 2 (July 7, 2022): 380. http://dx.doi.org/10.1149/ma2022-012380mtgabs.

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In recent years, extensive research has been performed on high energy cathode materials for lithium ion batteries being used in electric vehicles to reduce carbon emissions. Compared to the commercial layered cathode materials, the absence of cobalt in the spinel LiMn1.5Ni0.5O4 (LMNO) makes this material more environmentally friendly and cheaper.1 Spinel LMNO cathodes also reveal attractive gravimetric and volumetric energy densities of 635Whkg−1 and 2820WhL−1, respectively.2 According to the distribution of transition metals (TM) within the cubic crystal structure, spinel LMNO can be categorized into either ordered or disordered. Normally, disordered LMNO materials are produced at temperatures higher than the theoretical oxygen release temperature of spinel LMNO (715 °C).3 The formation of O vacancies is accompanied by some Mn4+ atoms being reduced to Mn3+ to maintain the electroneutrality of spinel LMNO. Ordered LMNO can be obtained through calcination at temperatures lower than 715 °C or post-annealing disordered LMNO materials at 700 °C.4 The reversible extraction and insertion of O atoms accompanied with different distribution of TM during spinel LMNO preparation drive up a hypothesis that the oxygen activity during cycling of spinel LMNO may be affected by the distribution of TM atoms, especially since the operating voltage of spinel LMNO (> 4.7 V) is high enough to trigger oxygen redox in other lithium transition metal oxides.5 To explore the feasibility of oxygen activity during cycling of spinel LMNO, the normal, core-shell and sandwich designed synthesis are performed using special Mn0.75Ni0.25(OH)2 precursors to arrange different distributions of TM atoms in the obtained N-, CS- and SW-LMNO. As shown in Figure 1(a) – (c), the three materials show similar XRD patterns in the pristine state, yet different reflection peaks are observed in the three materials after charging to 4.9 V. The unclear phase transition of SW-LMNO indicates it show stable structure. The three materials also show different CV curves, see Figure 1(d). This indicates the extraction and insertion of Li atoms lead to different redox reactions in the three materials. Besides, differential electrochemical mass spectrometry (DEMS), in-situ transmission electron microscope (TEM) as well as hard and soft X-ray absorption spectroscopy (XAS) measurements are utilized to further investigate the oxygen activity during cycling of spinel LMNO. Reference 1. Li, M. & Lu, J. Cobalt in lithium-ion batteries. Science 367, 979-980 (2020). 2. Hagh, N. M. & Amatucci, G. G. A new solid-state process for synthesis of LiMn1. 5Ni0. 5O4−δ spinel. Journal of Power Sources 195, 5005-5012 (2010). 3. Manthiram, A., Chemelewski, K. & Lee, E.-S. A perspective on the high-voltage LiMn1.5Ni0.5O4 spinel cathode for lithium-ion batteries. Energy & Environmental Science 7, 1339-1350 (2014). 4. Chemelewski, K. R., Shin, D. W., Li, W. & Manthiram, A. Octahedral and truncated high-voltage spinel cathodes: the role of morphology and surface planes in electrochemical properties. Journal of Materials Chemistry A 1, 3347-3354 (2013). 5. Seo, D.-H. et al. The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials. Nature chemistry 8, 692-697 (2016). Figure 1. Operando X-ray diffraction patterns of N- (a), CS- (b) and SW- (c) LiMn1.5Ni0.5O4 in the pristine states and at the charge states of 4.9 V and the corresponding cyclic voltammetry curves of the three materials (d) Figure 1

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Journal articles on the topic 'Ion-cubic metals'

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