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Literatura académica sobre el tema "Perovskites oxides"

Autor: Grafiati

Publicado: 13 de abril de 2024

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Artículos de revistas sobre el tema "Perovskites oxides"

Mitchell, Roger H., Mark D. Welch y Anton R. Chakhmouradian. "Nomenclature of the perovskite supergroup: A hierarchical system of classification based on crystal structure and composition". Mineralogical Magazine 81, n.º 3 (junio de 2017): 411–61. http://dx.doi.org/10.1180/minmag.2016.080.156.

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AbstractOn the basis of extensive studies of synthetic perovskite-structured compounds it is possible to derive a hierarchy of hettotype structures which are derivatives of the arisotypic cubic perovskite structure (ABX3), exemplified by SrTiO3 (tausonite) or KMgF3 (parascandolaite) by: (1) tilting and distortion of the BX6 octahedra; (2) ordering of A- and B-site cations; (3) formation of A-, B- or X-site vacancies. This hierarchical scheme can be applied to some naturally-occurring oxides, fluorides,hydroxides, chlorides, arsenides, intermetallic compounds and silicates which adopt such derivative crystal structures. Application of this hierarchical scheme to naturally-occurring minerals results in the recognition of a perovskite supergroup which is divided into stoichiometric and non-stoichiometricperovskite groups, with both groups further divided into single ABX3 or double A2BB'X6 perovskites. Subgroups, and potential subgroups, of stoichiometric perovskites include: (1) silicate single perovskites of the bridgmanite subgroup;(2) oxide single perovskites of the perovskite subgroup (tausonite, perovskite, loparite, lueshite, isolueshite, lakargiite, megawite); (3) oxide single perovskites of the macedonite subgroup which exhibit second order Jahn-Teller distortions (macedonite, barioperovskite); (4) fluoride singleperovskites of the neighborite subgroup (neighborite, parascandolaite); (5) chloride single perovskites of the chlorocalcite subgroup; (6) B-site cation ordered double fluoride perovskites of the cryolite subgroup (cryolite, elpasolite, simmonsite); (7) B-site cation orderedoxide double perovskites of the vapnikite subgroup [vapnikite, (?) latrappite]. Non-stoichiometric perovskites include: (1) A-site vacant double hydroxides, or hydroxide perovskites, belonging to the söhngeite, schoenfliesite and stottite subgroups; (2) Anion-deficient perovskitesof the brownmillerite subgroup (srebrodolskite, shulamitite); (3) A-site vacant quadruple perovskites (skutterudite subgroup); (4) B-site vacant single perovskites of the oskarssonite subgroup [oskarssonite]; (5) B-site vacant inverse single perovskites of the coheniteand auricupride subgroups; (6) B-site vacant double perovskites of the diaboleite subgroup; (7) anion-deficient partly-inverse B-site quadruple perovskites of the hematophanite subgroup.

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Feng, Dawei y Alexandra Navrotsky. "Thermochemistry of Rare Earth Perovskites". MRS Advances 1, n.º 38 (2016): 2695–700. http://dx.doi.org/10.1557/adv.2016.489.

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AbstractThe rare earth (RE) mineral loparite with the chemical composition (RE, Na, Sr, Ca)(Ti, Nb, Ta, Fe+3)O3 is the principal ore of the light rare earth elements (LREE) as well as niobium and tantalum. The enthalpies of formation of RE0.67-xNa3xTiO3 (RE = La, Ce) and Ca1-2xNaxLaxTiO3 from oxides and elements of lanthanum and cerium perovskites and their solid solutions have been obtained using high temperature oxide melt solution calorimetry. RE0.67-xNa3xTiO3 (RE = La, Ce) perovskites become more stable relative to oxide components as sodium content increases. Na0.5Ce0.5TiO3 and Na0.5La0.5TiO3 can be considered stable endmembers in natural loparite minerals. For perovskite solid solutions Ca1-2xNaxLaxTiO3, the enthalpies of formation from the constituent oxides $\Delta {\rm{H}}_{{\rm{f}},\,{\rm{ox}}}^^\circ$ become more exothermic with increasing Na+La content, suggesting a stabilizing effect of the substitution 2Ca2+ → Na+ + La3+ on the perovskite structure. The trend of increasing thermodynamic stability with decreasing structural distortion is similar to that seen in many other ABO3 perovskites.

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Han, Binghong y Yang Shao-Horn. "(Invited) In-Situ Study of the Activated Lattice Oxygen Redox Reactions in Metal Oxides during Oxygen Evolution Catalysis". ECS Meeting Abstracts MA2018-01, n.º 32 (13 de abril de 2018): 1935. http://dx.doi.org/10.1149/ma2018-01/32/1935.

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Promoting the oxygen evolution reaction (OER) near room temperature is critical to improve the efficiency of many electrochemical energy storage and conversion techniques, such as water splitting and rechargeable metal-air batteries. Nowadays, researchers have developed many non-precious metal oxides as highly active OER catalysts, including many perovskite oxides (ABO3) of first-row transition metals such as LaCoO3-δ (LCO), SrCoO3-δ (SCO), and Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF). However, understanding the interaction between oxides catalysts and water, which determines the stability and activity of the oxide OER catalysts, is still challenging. Here we report the systematic investigation between water and various perovskite oxides with different electronic structures, using a series of in situ characterization techniques including on-line electrochemical mass spectrometry (OLEMS), environmental transmission electron microscopy (ETEM), and pH-dependent electrochemical tests. It is find that having an oxygen 2p-band closer to the Fermi level and increasing the covalency of metal-oxygen bonds could facilitate the redox reaction of lattice oxygen in perovskites during OER catalysis. In the oxides such as SCO and BSCF with activated lattice oxygen in the OER process, we observe the evolving of 18O-labeled lattice oxygen in OLEMS, the strong pH dependency of OER kinetics in electrochemical measurements, and the structural oscillation in ETEM, which all indicate a new oxygen-site OER mechanism that makes the perovskites more active and less stable. While in the oxides such as LCO with no lattice oxygen activation, all of the above phenomena are missing, implying a stable surface with traditional metal-site OER mechanism. Observing the perovskites in situ during OER allows us to better understand the interaction between electrolytes and oxides, providing us a deeper insight into the stability and active site of oxide catalysts for OER.

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Mistri, Rajib. "Catalytic Organic Reactions in Liquid Phase by Perovskite Oxides: A Review". Asian Journal of Chemistry 34, n.º 10 (2022): 2489–98. http://dx.doi.org/10.14233/ajchem.2022.23976.

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The structural flexibility and controllable physico-chemical characters of perovskite oxides have drawn major attention of researchers for catalytic reactions. Perovskite oxide are mainly used as catalysts for electrochemical, high temperature gas-phase and photocatalytic reactions but their uses for catalytic organic reactions in liquid phase are limited. Various porous and nano-perovskite oxides have been prepared by different methods are effectively used as catalyst for different types of organic reactions in liquid phase. The liquid-phase catalytic organic reactions over perovskite oxides have been classified mainly into three groups: (i) acid/base catalyzed, (ii) selective oxidation and (iii) cross-coupling reactions. This review article mainly emphases on different examples of perovskite oxides catalyzed organic reactions in liquid phase along with the relationships among the unique catalytic performance with the structural and the physico-chemical properties of perovskites.

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Gazda, M., P. Jasinski, B. Kusz, B. Bochentyn, K. Gdula-Kasica, T. Lendze, W. Lewandowska-Iwaniak, A. Mielewczyk-Gryn y S. Molin. "Perovskites in Solid Oxide Fuel Cells". Solid State Phenomena 183 (diciembre de 2011): 65–70. http://dx.doi.org/10.4028/www.scientific.net/ssp.183.65.

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Perovskite oxides comprise large families among the structures of oxide compounds, and several perovskite-related structures are also known. Because of their diversity in chemical composition, properties and high chemical stability, perovskite oxides are widely used for preparing solid oxide fuel cell (SOFC) components. In this work a few examples of perovskite cathode and anode materials and their necessary modifications were shortly reviewed. In particular, nickel-substituted lanthanum ferrite and iron-substituted strontium titanate as cathode materials as well as niobium-doped strontium titanate, as anode material, are described. Electrodes based on the modified perovskite oxides are very promising SOFC components.

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Bartel, Christopher J., Christopher Sutton, Bryan R. Goldsmith, Runhai Ouyang, Charles B. Musgrave, Luca M. Ghiringhelli y Matthias Scheffler. "New tolerance factor to predict the stability of perovskite oxides and halides". Science Advances 5, n.º 2 (febrero de 2019): eaav0693. http://dx.doi.org/10.1126/sciadv.aav0693.

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Predicting the stability of the perovskite structure remains a long-standing challenge for the discovery of new functional materials for many applications including photovoltaics and electrocatalysts. We developed an accurate, physically interpretable, and one-dimensional tolerance factor, τ, that correctly predicts 92% of compounds as perovskite or nonperovskite for an experimental dataset of 576 ABX3 materials (X = O2−, F−, Cl−, Br−, I−) using a novel data analytics approach based on SISSO (sure independence screening and sparsifying operator). τ is shown to generalize outside the training set for 1034 experimentally realized single and double perovskites (91% accuracy) and is applied to identify 23,314 new double perovskites (A2BB′X6) ranked by their probability of being stable as perovskite. This work guides experimentalists and theorists toward which perovskites are most likely to be successfully synthesized and demonstrates an approach to descriptor identification that can be extended to arbitrary applications beyond perovskite stability predictions.

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Ferri, Davide. "Catalysis by Metals on Perovskite-Type Oxides". Catalysts 10, n.º 9 (15 de septiembre de 2020): 1062. http://dx.doi.org/10.3390/catal10091062.

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Perovskites are currently on everyone’s lips and have made it in high-impact scientific journals because of the revolutionary hybrid organic–inorganic lead halide perovskite materials for solar cells [...]

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Padha, Bhavya, Sonali Verma, Prerna Mahajan y Sandeep Arya. "Role of Perovskite-Type Oxides in Energy Harvesting Applications". ECS Transactions 107, n.º 1 (24 de abril de 2022): 12073–81. http://dx.doi.org/10.1149/10701.12073ecst.

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Perovskite type oxide (PTO) is an extensively studied material over the past decade. Deformations occur as a consequence of variances in their ionic radii and electronegativity, which come from the production of oxygen or cation deficiencies, or alterations in their respective bonding angles. The perovskites' defects and order–disorder crystal structures result in a wide range of functional characteristics. This paper reviews the contribution of perovskite-based oxides in these applications. In this context, the future scope of these materials has been investigated to enhance the performance parameters like specific capacity, power conversion efficiency, energy density, and cycle life. This research will aid in the selection of suitable perovskite materials.

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Kirichenko, Evgeny A., Pavel G. Chigrin y Anton A. Gnidenko. "Synthesis of YFeO_3-δ and LaFeO_3-δ Perovskites with High Catalytic Activity in Carbon Oxidation Reactions". Solid State Phenomena 316 (abril de 2021): 105–9. http://dx.doi.org/10.4028/www.scientific.net/ssp.316.105.

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YFeO3-δ (δ = 0.26) and LaFeO3-δ (δ = 0.5) perovskites with a high specific surface and oxygen non-stoichiometry was firstly synthesized by pyrolysis of polymer-salt compositions. It was shown that the catalytic oxidation of carbon in the presence of these complex oxide systems proceeds in the range of 400 - 700 °С, with a maximum temperature at 556 °С for YFeO3-δ; and 380 - 620 °С ,with a maximum temperature at 501 °С for LaFeO3-δ, in one-stage mode for both. By means of thermal analysis and diffractometry, it was shown that there is no contribution to the soot oxidation mechanism by cyclic perovskite surface transformations, due to the reduction of metal oxides by the soot and their subsequent reoxidation. It has been established that the basis of the catalytic reaction mechanism for both perovskites is the presence of oxygen vacancies on the surface of complex oxides.

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Jetpisbayeva, G. D., B. K. Massalimova y A. B. Daulet. "SYNTHESIS OF PEROFSKITE-LIKE Co-CONTAINING CATALYST". SERIES CHEMISTRY AND TECHNOLOGY 2, n.º 440 (15 de abril de 2020): 115–19. http://dx.doi.org/10.32014/2020.2518-1491.31.

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There are several approaches to the preparation of catalysts with a developed surface based on oxides with a perovskite structure. Perovskites, due to the possibility of easy variation of chemical composition, make it possible to choose the optimal composition of the catalyst and surface area, and as a result it is possible to influence effectively the selectivity. Perovskite-like LaMeO3 oxides are one of the most promising catalysts for many oxidation processes due to their high activity in oxidative reactions and the stability in aggressive environment. Pekini method (polymer complexes method) and its simplified variant - citrate method are the most widely used for the synthesis of perovskite-like oxides. This article reports about the synthesis of perovskite-like complex oxide LaCoO3 obtained in two ways: hydrothermal, using ethylene glycol, and the citrate method using the template – mesoporous silica KIT-6. The structure of the samples obtained was determined by the XRD method. As a result, it was found that the catalysts have a perovskite structure. Key words: LaCoO3 , perovskite, KIT-6.

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Tesis sobre el tema "Perovskites oxides"

Akbarian-Tefaghi, Sara. "Microwave-Assisted Topochemical Manipulation of Layered Oxide Perovskites: From Inorganic Layered Oxides to Inorganic-Organic Hybrid Perovskites and Functionalized Metal-Oxide Nanosheets". ScholarWorks@UNO, 2017. http://scholarworks.uno.edu/td/2287.

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Developing new materials with desired properties is a vital component of emerging technologies. Functional hybrid compounds make an important class of advanced materials that let us synergistically utilize the key features of the organic and inorganic counterparts in a single composite, providing a very strong tool to develop new materials with ”engineered” properties. The research presented here, summarizes efforts in the development of facile and efficient methods for the fabrication of three- and two-dimensional inorganic-organic hybrids based on layered oxide perovskites. Microwave radiation was exploited to rapidly fabricate and modify new and known materials. Despite the extensive utilization of microwaves in organic syntheses as well as the fabrication of the inorganic solids, the work herein was among the first reported that used microwaves in topochemical modification of the layered oxide perovskites. Our group specifically was the first to perform rapid microwave-assisted reactions in all of the modification steps including proton exchange, grafting, intercalation, and exfoliation, which decreased the duration of multi-step modification procedures from weeks to only a few hours. Microwave-assisted grafting and intercalation reactions with n-alkyl alcohols and n-alkylamines, respectively, were successfully applied on double-layered Dion-Jacobson and Ruddlesden-Popper phases (HLaNb2O7, HPrNb2O7, and H2CaTa2O7), and with somewhat more limited reactivity, applied to triple-layered perovskites (HCa2Nb3O10 and H2La2Ti3O10). Performing neutron diffraction on n-propoxy-LaNb2O7, structure refinement of a layered hybrid oxide perovskite was then tried for the first time. Furthermore, two-dimensional hybrid oxides were efficiently prepared from HLnNb2O7 (Ln = La, Pr), HCa2Nb3O10, HCa2Nb2FeO9, and HLaCaNb2MnO10, employing facile microwave-assisted exfoliation and post-exfoliation surface-modification reactions for the first time. A variety of surface groups, saturated or unsaturated linear and cyclic organics, were successfully anchored onto these oxide nanosheets. Properties of various functionalized metal-oxide nanosheets, as well as the polymerization of some monomer-grafted nanosheets, were then investigated for the two-dimensional hybrid systems.

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Jones, Christopher Wynne. "Structural and electronic properties of mixed metal oxides". Thesis, University of Leeds, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.235645.

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Erten, Onur. "Electronic and Magnetic Properties of Double Perovskites and Oxide Interfaces". The Ohio State University, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=osu1376496346.

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Josepha, Elisha A. "Topochemical Manipulation of Layered Perovskites". ScholarWorks@UNO, 2011. http://scholarworks.uno.edu/td/464.

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Topochemical strategies, techniques that allow one to effectively manipulate the structures of nonmolecular solids once a crystal lattice is established, are effective in the low temperature (< 500 °C) modification of solid state structures, allowing the preparation of nonmolecular compounds not accessible by standard synthetic routes. Some of the techniques, ion exchange, intercalation/deintercalation, have proven to be excellent synthetic methods for preserving specific frameworks. The combination of these techniques can allow one to create a multistep approach that can be used to design new compounds with interesting properties. As an expansion to the field of topotactic reactions, a multistep approach was developed towards the synthesis of the new compounds (A xM0.5Cly)LaNb2O7 (where A = Rb, Cs; M = Fe, Ni; x ≈ 1.5;y ≈ 1) at temperatures below 400oC. The first reaction step involved the ion exchange of the host materials (ALaNb2O7, A = Rb, Cs) to form the products M0.5LaNb2O7 (where M = Fe, Ni), a structure open to further chemistry. The next step involved reductive intercalation with Rb or Cs metal to form the air sensitive mixed-valence products with the nominal compositions, A1.5M0.5LaNb2O7. The last step involved the oxidative intercalation of chlorine using chlorine gas to obtain the final compounds. This multistep approach is a design to form mix-metal halide layers, specifically those with divalent cations, within layered perovskites, opening the doors to compounds that can have interesting properties. This reaction series was also applied to the tantalate layered oxides, leading to the formation of the new compound Ni 0.5LaTa2O7 through ion exchange. The further multistep topochemical manipulation of this new compound was not successful and was indicative of the difference in chemical behavior of the tantalates versus the niobates. We have also investigated the oxidative intercalation of halogens into a series of Ruddlesden-Popper (R-P) ruthenate oxides with the formula Ae n+1RunO3n+1 (Ae = Ca, Sr; n = 1, 2, 3) using several sources of fluorine, chlorine, and bromine. A new method was developed to intercalate chlorine into layered systems; this new approach avoids the use of chlorine gas which is highly toxic. The new phase Sr3Ru2O7Cl0.7 was synthesized by the new method and further topotactic manipulations were explored. The chemistry was not limited to the n = 2 phase but was also applied to the n = 3 phase, Sr4Ru3O10.

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Gustin, Lea. "Synthesis and Topochemical Manipulation of New Layered Perovskites". ScholarWorks@UNO, 2016. http://scholarworks.uno.edu/td/2149.

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Metastable layered perovskites containing interlayer transition metals can readily be obtained by simple ion exchange reactions on receptive hosts, such as those of the Dion-Jacobson and Ruddlesden-Popper structure types. In this work, we focused on adding to the library of layered perovskites by not only creating new compounds, but by also showing their ability to be further manipulated, and by studying the stability of the series through thermal behavior studies. The reactions with transition metal halides are particularly interesting since they often lead to novel architectures and magnetic behavior. On subsequent heat treatment, these exchange products typically decompose to thermodynamically more stable phases. The newly synthesized spin glass-like material, FeLa2Ti3O10, obtained by ion exchange of Li2La2Ti3O10 with FeCl2 at 350 °C, behaves differently. When heated to 700 °C, the compound undergoes a significant cell contraction (Δc ≈ -2.7 Å) with an increase in the oxidation state of iron present in the interlayer that not been observed before in such compounds. Efforts were also made to synthesize new series of compounds, here MSrTa2O7 (M= Co and Zn), with vacancies in the interlayer that could lead to future topochemical manipulations. The ability to vary the composition of different phases to form solid-solutions through atomic substitution at the A or B sites with ions of similar or different charge can lead to new structures as well an enhancement of the properties of the original compound or new ones. The synthesis and characterization of the new mixed A-cation containing layered perovskite RbLaNaNb3O10, where La3+ and Na+ share the same site in the perovskite slab and RbLaCaNb2MnO10 that exhibits an ordering of the B site with Mn in the center of the perovskite slab will be presented. Further topochemical manipulation of these phases via ion exchange reactions at low temperatures (< 500 °C), lead to the new series A’LaNaNb3O10 and A’LaCaNb2MnO10 where A’= H, Li, Na, K and CuCl.

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Awin, Labib Ali Mohamed. "Structural, Magnetic And Electrical Studies On Some Mixed Metal Perovskite Oxides". Thesis, The University of Sydney, 2013. http://hdl.handle.net/2123/9531.

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This thesis describes crystallographic, magnetic and electrical studies of some mixed metal perovskites. In the first part, the charge distribution, magnetic and electrical properties of mixed metal rhodium-copper perovskite oxides were investigated. Various series with the general formula Ln1-yAyRh1-2xCuxBxO3 in which (Ln = La3+, Tb3+; A = Ca2+, Sr2+, Pb2+, Bi3+; B = Sc3+, Cu2+, Zn2+ ; y ≤ 0.3, x ≤ 0.25), have been synthesised by solid state reaction, and characterised by X-ray diffraction, scanning electron microscopy and physical property measurements and, as available, neutron diffraction and X-ray absorption near edge structure measurements. Structures were invariably orthorhombic with space group Pbnm with the Rh and Cu ions disordered on the same site. X-ray diffraction measurements of selected samples showed that the orthorhombic structure persisted over a wide temperature range, 30 to 900 ºC. All the samples are semiconductors and paramagnetic over the temperature range 4-300 K. Doping a divalent cation onto the B site appears to have a significant impact on charge delocalization between Rh3+/4+ and Cu2+/3+ ions due to the oxidation of Rh3+ to Rh4+ required to maintain the overall charge. That was most evident from the Rh L3 XANES measurements of the LaRh1-2xCu2xO3 and La1-xPbxRh0.5Cu0.5O3 series. Powder neutron diffraction measurements of La0.75Pb0.25Rh0.5Cu0.25Zn0.25O3, LaRh0.5Cu0.25Zn0.25O3 and La0.75Pb0.25Rh0.5Cu0.5O3 show no evidence for anion vacancies and it is postulated the oxides do not contain appreciable amount of oxygen vacancies. The magnetization curves show negative values for Weiss constants indicating weak antiferromagnetism may be present but there is no indication for long range coupling in the oxides. There are several factors that may influence the magnitude of the cell volume, octahedral distortion, octahedral tilting, magnetic interactions and electronic properties. These include ionic size, effective charge, electron configuration and electronegativity. In addition the charge delocalization and local ordering effects can play a role. The present work has demonstrated that: The changes in the unit cell volume and the octahedral distortion of the isovalent doped oxides such as La0.75A0.25Rh0.7Cu0.3O3 where A = Ca2+, Sr2+ and Pb2+ are consistent with the increase in the ionic radii, whereas the decrease in magnetic moments of these is correlated with the increase in the electronegativities of the dopant cation. The unit cell volumes for the terbium oxides are somewhat smaller than found in the analogous lanthanum oxides reflecting the small ionic size of Tb3+. The divalent cation doped oxides LnRh1-2xCu2xO3 and LnRh1-2xCuxZnxO3 display lower cell volumes and octahedral distortions but higher magnetic moments and electrical conductivities than the trivalent cation doped oxides LnRh1-2xCuxScxO3 as consequence of charge delocalization. The electrical conductivity of the oxides increases as the divalent dopant content increases possibly because of an increase in carrier concentration that occurs as consequences of the formation of ionic defects due to the oxidation of Rh3+ (3d6) to Rh4+ (3d5). The electron configuration influences the spin coupling and the band gap and this is most evident in the Pb2+ and Bi3+ (6s2) doped LaRh1-2xCu2xO3 oxides which exhibited the lowest magnetic moments and the highest activation energies among the oxides studied. Compared with the analogous lanthanum oxides, the magnetic susceptibilities of the terbium oxides increased as a consequence of the contribution of Tb3+ 4 f8 electrons. Changing the A site composition resulted in anomalous changes in the cell volumes, octahedral distortions, electrical resistivity and magnetic susceptibility of the La1-xPbxRh0.5Cu0.5O3 and La1-xBixRh0.5Cu0.5O3 perovskites. This is likely a consequence of charge delocalization and short-range local ordering effects. Increasing the doping on the B-site resulted in either a decrease or increase in the cell volumes and the magnetic moments, depending on the dopant type cation. The final part of this thesis describes the structure of some Ba2-xSr1+xBO5.5 (B = Nb5+ and Ta5+) perovskites. These were characterised by scanning electron microscopy, thermogravimetric analysis, X-ray and neutron diffraction. The preparation of these used solid state methods but the initial reactions were conducted under different media. Four compounds were prepared and these all have a face centred cubic structure with space group Fm3 ̅m. The two synthetic methods produce monophasic powders and these differ in color, particle size, and hardness. The cell edges of the oxides obtained by mixing the reactants with water are larger than these obtained when the mixing was conducted with acetone. The neutron diffraction profiles demonstrate that the A cation and oxygen ions are disordered in the BaSr2NbO5.5 and BaSr2TaO5.5 structures. The unusual thermal expansion of the unit cell is due to the presences of water and anion deficiency into the oxides structure. The oxides were found to absorb CO2 atmosphere during storage.

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Johnston, Karen Elizabeth. "A complementary study of perovskites : combining diffraction, solid-state NMR and first principles DFT calculations". Thesis, University of St Andrews, 2010. http://hdl.handle.net/10023/1837.

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Perovskites, ABX₃, and their associated solid-solutions are a particularly important and attractive area of research within materials chemistry. Owing to their structural and compositional flexibility and potential physical properties they are one of the largest classes of materials currently under investigation. This thesis is concerned with the synthesis and structural characterisation of several perovskite-based materials using a combined approach of high-resolution synchrotron X-ray and neutron powder diffraction (NPD), solid-state Nuclear Magnetic Resonance (NMR) and first-principles Density Functional Theory (DFT) calculations. Initial investigations concentrated on room temperature NaNbO₃, a perovskite widely debated in the literatue. Published crystallographic data indicate NaNbO₃ possesses two crystallographically distinct Na sites in space group Pbcm. Whilst some of our materials appear in agreement with this (notably a commercially purchased sample) many of our laboratory-synthesised samples of NaNbO₃ routinely comprise of two phases, which we show to be the antiferroelectric Pbcm and polar P2₁ma polymorphs. Several different synthetic methods were utilised during this investigation and the quantity of each phase present was found to vary as a function of preparative method. ²³Na, ⁹³Nb and ¹⁷O DFT calculations were used in conjunction with experiment to aid in spectral analysis, assignment and interpretation. In addition, ab initio random structure searching (AIRSS) was utilised in an attempt to predict the most stable phases of NaNbO₃. This proved to be both successful and highly informative. A series of NaNbO₃-related solid-solutions, namely K[subscript(x)]Na[subscript(1-x)]NbO₃ (KNN), Li[subscript(x)]Na[subscript(1-x)]NbO₃ (LNN) and Na[subscript(1-x)]Sr[subscript(x/2)]□[subscript(x/2)]NbO₃ (SNN) have also been synthesised and characterised. The substitution of K⁺ , Li⁺ and Sr²⁺ cations onto the A site appears to produce the same polar P2₁ma phase initially identified in the room temperature NaNbO₃ investigation. The abrupt change in cation size in the KNN and LNN series, and the introduction of vacancies in the SNN series, is thought to result in a structural distortion which, in turn, causes the formation of the P2₁ma phase. A low temperature synchrotron X-ray powder diffraction study (12 < T < 295 K) was completed for a sample of NaNbO₁ composed of the P2₁ma polymorph (~90%) and a small quantity of the Pbcm phase (~10%). A region of phase coexistence was identified between the P2₁ma, R3c and Pbcm phases over a relatively large temperature range. Full conversion of the P2₁ma phase to the low temperature R3c phase was not possible and, consistently, the P2₁ma phase was the most abundant phase present. Factors such as structural, strain, crystallite size and morphology are thought to be crucial in determining the exact phases of NaNbO₃ produced, both at low and room temperature. The solid-solution La[subscript(1-x)]Y[subscript(x)]ScO₃ was also investigated. Compositions x = 0, 0.2, 0.4, 0.6, 0.8 and 1 were successfully synthesised and characterised. Refined high-resolution NPD data indicates that an orthorhombic structure, in space group Pbnm, was retained throughout the solid-solution. Using ⁴⁵Sc and ⁸⁹Y MAS NMR each sample was found to exhibit disorder, believed to result from both a distribution of quadrupole and chemical shifts. NMR parameters were calculated for several model Sc and Y compounds using DFT methods to determine the feasibility and accuracy of ⁴⁵Sc and ⁸⁹Y DFT calculations. These proved successful and subsequent calculations were completed for the end members LaScO₃ and YScO₃. DFT calculations were also utilised to gain insight into the disorder exhibited in the La[subscript(1-x)]Y[subscript(x)]ScO₃ solid-solution.

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Shah, N. "Structure-property correlations in layered perovskites and related oxides: importance of atomic sizes". Thesis(Ph.D.), CSIR-National Chemical Laboratory, Pune, 1995. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2842.

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Zong, Yanhua. "Magnetic and magnetodielectric properties of Eu2+-containing oxides". 京都大学 (Kyoto University), 2010. http://hdl.handle.net/2433/126809.

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Vivek, Manali. "Etats topologiques aux surfaces de perovskites d'oxydes de métaux de transition". Thesis, Université Paris-Saclay (ComUE), 2018. http://www.theses.fr/2018SACLS216/document.

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Le sujet de la topologie dans les oxydes, en particulier à la surface des oxydes de pérovskite comme SrTiO₃, ou à l'interface de LaA1O₃ / SrTiO₃ sera étudié dans cette thèse. Les deux matériaux, à leurs surfaces orientées (001), contiennent un état métallique limité à quelques nanomètres de la surface. De plus, nous montrerons qu'il existe certains croisements de trois bandes autour desquelles des perturbations vont provoquer l'apparition d'un spectre de bandes inversées et gappées. Ceux-ci conduiront à des états de bord topologiques qui peuvent être détectés via la supraconductivité induite comme dans le cas des puits quantiques topologiques ou des nanofils des supraconducteurs-semi-conducteurs. Ensuite, la surface orientée (111) de LaA1O₃ / SrTiO₃ sera étudiée lorsque les mesures de transport de Hall révèlent une transition de un à deux porteurs par dopage électrostatique. Une explication basée sur un modèle de liaisons fortes incluant des corrélations U de Hubbard sera proposée, ce qui donnera lieu à des croisements de bandes entre les sous-bandes favorisant les états topologiques. Enfin, une étude ab-initio de CaTiO₃ sera effectuée pour expliquer l'état métallique qui existe à sa surface (001) orientée et pour prédire le magnétisme dans le système. CaTiO₃ est différent des autres composés étudiés précédemment, en raison de la grande rotation et de l'inclinaison des octaèdres d'oxygène entourant le Ti, ce qui complique les faits. La structure avec et sans lacunes d'oxygène sera étudiée en profondeur pour fournir des détails sur la bande de conduction et leurs caractères orbitaux
The subject of topology in oxides, in particular at the surfaces of perovskite oxides like SrTiO₃, or at the interface of LaA1O₃/SrTiO₃ will be investigated in this thesis. Both compounds, at their (001) oriented surfaces, contain a metallic state confined to a few nanometers at the surface. In addition, we will show that there exist certain three band crossings around which perturbations will cause an inverted and gapped band spectrum to appear. These will lead to topological edge states which can be detected via induced superconductivity as in the case of topological quantum wells or superconductor-semiconductor nanowires. Next, the (111) oriented surface of LaA1O₃/SrTiO₃ will be studied where Hall transport measurements reveal a one to two carrier transition via electrostatic doping. An explanation based on a tight binding modelling including Hubbard U correlations, will be proposed which will give rise to band crossings between sub-bands promoting topological states. Finally, an ab-initio study of CaTiO₃ will be performed to explain the metallic state which exists at its (001) oriented surface and to predict magnetism in the system. CaTiO₃ is different from the other compounds studied previously, due to the large rotation and tilting of the oxygen octahedra surrounding the Ti, which complicates the picture. The structure with and without oxygen vacancies will be studied in-depth to provide details about the conduction band and their orbital characters

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Libros sobre el tema "Perovskites oxides"

Granger, Pascal, Vasile I. Parvulescu, Vasile I. Parvulescu y Wilfrid Prellier, eds. Perovskites and Related Mixed Oxides. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527686605.

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Müller, K. A. Properties of perovskites and other oxides. Singapore: World Scientific, 2010.

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1927-, Müller K. A. y Kool Tom W, eds. Properties of perovskites and other oxides. New Jersey: World Scientific, 2010.

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Müller, K. A. Properties of perovskites and other oxides. New Jersey: World Scientific, 2010.

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Wijn, H. P. J., ed. Perovskites II, Oxides with Corundum, Ilmenite and Amorphous Structures. Berlin/Heidelberg: Springer-Verlag, 1994. http://dx.doi.org/10.1007/b54938.

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Gunnar, Borstel, Krūmin̳š A, Millers Donats y NATO Advanced Research Workshop on Defects and Surface-Induced Effects in Advanced Perovskites (1999 : Jūrmala, Latvia), eds. Defects and surface-induced effects in advanced perovskites. Dordrecht: Kluwer Academic Publishers, 2000.

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G, Tejuca L. y Fierro, J. L. G., 1948-, eds. Perovskite oxides. New York: Marcel Dekker, 1992.

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Perovskite oxide for solid oxide fuel cells. Dordrecht: Springer, 2009.

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Ishihara, Tatsumi, ed. Perovskite Oxide for Solid Oxide Fuel Cells. Boston, MA: Springer US, 2009. http://dx.doi.org/10.1007/978-0-387-77708-5.

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Arandiyan, Hamidreza. Methane Combustion over Lanthanum-based Perovskite Mixed Oxides. Berlin, Heidelberg: Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46991-0.

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Capítulos de libros sobre el tema "Perovskites oxides"

Ladavos, Athanasios y Philippos Pomonis. "Methane Combustion on Perovskites". En Perovskites and Related Mixed Oxides, 367–88. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch16.

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Rives, Vicente. "From Solid-State Chemistry to Soft Chemistry Routes". En Perovskites and Related Mixed Oxides, 1–24. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch01.

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Alamdari, Houshang y Sébastien Royer. "Mechanochemistry". En Perovskites and Related Mixed Oxides, 25–46. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch02.

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Nair, Mahesh Muraleedharan y Serge Kaliaguine. "Synthesis and Catalytic Applications of Nanocast Oxide-Type Perovskites". En Perovskites and Related Mixed Oxides, 47–68. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch03.

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Ferri, Davide, Andre Heel y Dariusz Burnat. "Aerosol Spray Synthesis of Powder Perovskite-Type Oxides". En Perovskites and Related Mixed Oxides, 69–90. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch04.

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Colmenares, Juan C., Agnieszka Magdziarz y Paweł Lisowski. "Application of Microwave and Ultrasound Irradiation in the Synthesis of Perovskite-Type Oxides ABO3". En Perovskites and Related Mixed Oxides, 91–112. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch05.

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Sadakane, Masahiro y Wataru Ueda. "Three-Dimensionally Ordered Macroporous (3DOM) Perovskite Mixed Metal Oxides". En Perovskites and Related Mixed Oxides, 113–42. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch06.

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Aruta, Carmela y Antonello Tebano. "Thin Films and Superlattice Synthesis". En Perovskites and Related Mixed Oxides, 143–68. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch07.

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Pirovano, Caroline, Aurélie Rolle y Rose-Noëlle Vannier. "Perovskite and Derivative Compounds as Mixed Ionic-Electronic Conductors". En Perovskites and Related Mixed Oxides, 169–88. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch08.

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Populoh, Sascha, O. Brunko, L. Karvonen, L. Sagarna, G. Saucke, P. Thiel, M. Trottmann, Nina Vogel-Schäuble y A. Weidenkaff. "Perovskite and Related Oxides for Energy Harvesting by Thermoelectricity". En Perovskites and Related Mixed Oxides, 189–210. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527686605.ch09.

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Actas de conferencias sobre el tema "Perovskites oxides"

Ismunandar, B. Prijamboedi, N. R. Sari y A. Nursanto. "Synthesis and characterization of Perovskites based oxides for solid oxides fuel cells materials". En 2008 IEEE International Conference on Sustainable Energy Technologies. IEEE, 2008. http://dx.doi.org/10.1109/icset.2008.4747057.

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Ding, Haoran, Yongqing Xu, Linyi Xiang, Qiyao Wang, Cheng Shen, Cong Luo y Liqi Zhang. "Synthesis of CeO2 Supported BaCoO3 Perovskites for Chemical-Looping Methane Reforming to Syngas and Hydrogen". En ASME 2017 Power Conference Joint With ICOPE-17 collocated with the ASME 2017 11th International Conference on Energy Sustainability, the ASME 2017 15th International Conference on Fuel Cell Science, Engineering and Technology, and the ASME 2017 Nuclear Forum. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/power-icope2017-3246.

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In order to reduce the hotspots in partial oxidation of methane, CeO2 supported BaCoO3 perogvskite-type oxides were synthesized using a sol-gel method and applied in chemical-looping steam methane reforming (CL-SMR). The synthesized BaCoO3-CeO2 was characterized by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). XRD and XPS results suggested that the obtained BaCoO3 was pure crystalline perovskite, its crystalline structure and lattice oxygen could regenerate after calcining. The reactivity of perovskite-type oxides in CL-SMR was evaluated using a fixed-bed reactor. Gas production rates and H2/CO ratios showed that the optimal reaction temperature was about 860 °C and the properly reaction time in fuel reactor was about 180s when Weight Hourly Space Velocity (WHSV) was 23.57 h−1. The syngas production in fuel reactor were 265.11 ml/g, hydrogen production in reforming reactor were 82.53 ml/g. (CSPE)

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Gottesman, Ronen. "Overcoming Challenges in Synthesis and Device Fabrication – Transferable Insights from Metal Oxides to Metal Halide Perovskites". En MATSUS Spring 2024 Conference. València: FUNDACIO DE LA COMUNITAT VALENCIANA SCITO, 2023. http://dx.doi.org/10.29363/nanoge.matsus.2024.232.

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Lagerbom, J., A. P. Nikkilä, M. Kylmälahti, P. Vuoristo, U. Kanerva y T. Varis. "Phase Stability and Structure of Conductive Perovskite Ceramic Coatings by Thermal Spraying". En ITSC2008, editado por B. R. Marple, M. M. Hyland, Y. C. Lau, C. J. Li, R. S. Lima y G. Montavon. Verlag für Schweißen und verwandte Verfahren DVS-Verlag GmbH, 2008. http://dx.doi.org/10.31399/asm.cp.itsc2008p1091.

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Abstract Perovskites are considered as potential materials in solid oxide fuel cells (SOFC) for different reasons at different parts of the fuel cells. Perovskites such as La0.8Sr0.2MnO3 (LSM) and other compositions are electrically conductive which is necessary for SOFC applications. One possible application is protection coating for interconnect plates (bipolar plate) to avoid chromium oxide evaporation from the surface of ferritic stainless steel. Different commercial and experimental perovskite powders were sprayed by plasma and HVOF spraying under different spray conditions. Spraying of pervoskites was found to be challenging and required careful parameter optimization in both spray methods. Microstructure and phase structure of the coatings were investigated. A very fine crack structure, possibly caused by low mechanical strength and low ductility of the compounds, was easily formed in coatings prepared by plasma and HVOF spraying. Spraying method, parameters and spraying atmospheres were found to affect the stability of the perovskite compounds due to low chemical stability at high spray temperatures. Oxygen deficiency or oxygen surplus was concluded to cause distortion of the compounds crystal structure, causing thus shifting of XRD-peaks due to change of lattice parameters. Electric conductivity was affected by the crystal structure.

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Zhu, Bin, Juncai Sun, Xueli Sun, Song Li, Wenyuan Gao, Xiangrong Liu y Zhigang Zhu. "Compatible Cathode Materials for High Performance Low Temperature (300–600°C) Solid Oxide Fuel Cells". En ASME 2006 4th International Conference on Fuel Cell Science, Engineering and Technology. ASMEDC, 2006. http://dx.doi.org/10.1115/fuelcell2006-97279.

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We have made extensive efforts to develop various compatible electrode materials for the ceria-based composite (CBC) electrolytes, which have been, reported as most advanced LTSOFC electrolyte materials (Zhu, 2003). The electrode materials we have investigated can be classified as four categories: i) LSCCF (LaSrCoCaFeO) and BSCF perovskite oxides applied for our CBC electrolyte LTSOFCs; ii) LFN (LaFeO-based oxides, e.g. LaFe0.8Ni0.2O3) perovskite oxides; iii) lithiated oxides: e.g. LiNiOx, LiVOx or LiCuOx are typical cathode examples for the CBC LTSOFCs; iv) other mixed oxide systems, most common in a mixture of two-oxide phases, such CuOx-NiOx, CuO-ZnO etc. systems with or without lithiation are developed for the CBC systems, especially for direct alcohol LTSOFCs. These cathode materials used for the CBC electrolyte LTSOFCs have demonstrated excellent performances at 300–600°C, e.g. 1000 mWcm−2 was achieved at 580°C. The LTSOFCs can be operated with a wide range of fuels, e.g. hydrogen, methanol, ethanol etc with great potential for applications.

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Albrecht, Kevin J. y Robert J. Braun. "Thermodynamic Analysis of Non-Stoichiometric Perovskites as a Heat Transfer Fluid for Thermochemical Energy Storage in Concentrated Solar Power". En ASME 2015 9th International Conference on Energy Sustainability collocated with the ASME 2015 Power Conference, the ASME 2015 13th International Conference on Fuel Cell Science, Engineering and Technology, and the ASME 2015 Nuclear Forum. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/es2015-49409.

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The implementation of efficient and cost effective thermal energy storage in concentrated solar power (CSP) applications is crucial to the wide spread adoption of the technology. The current push to high-temperature receivers enabling the use of advanced power cycles has identified solid particle receivers as a desired technology. A potential way of increasing the specific energy storage of solid particles while simultaneously reducing plant component size is to implement thermochemical energy storage (TCES) through the use of non-stoichiometric perovskite oxides. Materials such as strontium-doped lanthanum cobalt ferrites (LSCF) have been shown to have significant reducibility when cycling temperature and oxygen partial pressure of the environment [1]. The combined reducibility and heat of the oxidation and reduction reactions with the sensible change in temperature of the material leads to specific energy storage values approaching 700 kJ kg−1. A potential thermochemical energy storage system configuration and modeling strategy is reported on, leading to a parametric study of critical operating parameters on the TCES subsystem performance. For the LSCF material operating between 500 and 900°C with oxygen partial pressure swings from ambient to 0.0001 bar, system efficiencies of 68.6% based on the net thermal energy delivered to the power cycle relative to the incident solar flux on the receiver and auxiliary power requirements, with specific energy storage of 686 kJ kg−1 are predicted. Alternatively, only cycling the temperature between 500 and 900°C without oxygen partial pressure swings results in TCES subsystem efficiencies up to 76.3% with specific energy storage of 533 kJ kg−1.

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Xu, Weihe, Qi Chen, Yong Shi y Hamid Hadim. "Fabrication of Thermoelectric La0.95Sr0.05CoO3 Thin Film and Seebeck Coefficient Measurement". En ASME/JSME 2011 8th Thermal Engineering Joint Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajtec2011-44554.

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The P-type perovskite oxides La1-xSrxCoO3 are a promising group of complex oxide thermoelectric (TE) materials because of its a higher Seebeck coefficient. In this paper, the La0.95Sr0.05CoO3 thin film was prepared by spin coating. A custom-made MEMS (micro-electromechanical system) based device was used to measure the voltage output and Seebeck coefficient of the thin film. The measured Seebeck coefficient of the thin film was 350 μV/K.

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Sengunthar, Poornima S., Rutvi J. Pandya y U. S. Joshi. "Structural, electrical and optical properties of Fe doped BaTiO3 perovskite ceramic". En FUNCTIONAL OXIDES AND NANOMATERIALS: Proceedings of the International Conference on Functional Oxides and Nanomaterials. Author(s), 2017. http://dx.doi.org/10.1063/1.4982101.

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Dou, Letian. "Two-dimensional organic-inorganic hybrid perovskites (Conference Presentation)". En Oxide-based Materials and Devices X, editado por Ferechteh H. Teherani, David C. Look y David J. Rogers. SPIE, 2019. http://dx.doi.org/10.1117/12.2516752.

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Neitzert, Heinz-Christoph. "Noise characterization of perovskite solar cells". En Oxide-based Materials and Devices IX, editado por Ferechteh H. Teherani, David C. Look y David J. Rogers. SPIE, 2018. http://dx.doi.org/10.1117/12.2306100.

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Informes sobre el tema "Perovskites oxides"

Rigdon, Katharine y Anthony McDaniel. Solar thermochemical hydrogen production with complex perovskite oxides. Office of Scientific and Technical Information (OSTI), agosto de 2019. http://dx.doi.org/10.2172/1762991.

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Nowick, A. Protons and lattice defects in perovskite-related oxides. Office of Scientific and Technical Information (OSTI), enero de 1990. http://dx.doi.org/10.2172/7172698.

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Anderson, H. U., M. M. Nasrallah, D. M. Sparlin y P. E. Parris. Electronic transport and mixed conductivity in perovskite type oxides. Office of Scientific and Technical Information (OSTI), marzo de 1992. http://dx.doi.org/10.2172/5768898.

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McHale, Jr., James M. Solution based preparation of Perovskite-type oxide films and powders. Office of Scientific and Technical Information (OSTI), abril de 1995. http://dx.doi.org/10.2172/42452.

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McHale, Jr., James M. Solution based synthesis of perovskite-type oxide films and powders. Office of Scientific and Technical Information (OSTI), enero de 1995. http://dx.doi.org/10.2172/10114240.

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James P. Lewis. ?Structural Transformations in Ceramics: Perovskite-like Oxides and Group III, IV, and V Nitrides? Office of Scientific and Technical Information (OSTI), diciembre de 2006. http://dx.doi.org/10.2172/909138.

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Miller, Virginia L. y Steven C. Tidrow. Investigations of Transition Metal Oxide with the Perovskite Structure as Potential Multiferroics. Fort Belvoir, VA: Defense Technical Information Center, octubre de 2008. http://dx.doi.org/10.21236/ada487226.

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Nowick, Arthur S. Protons and lattice defects in perovskite-related oxides [Final report, Jan. 1, 1991-June 30, 1999]. Office of Scientific and Technical Information (OSTI), septiembre de 1999. http://dx.doi.org/10.2172/758909.

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Anderson, H. U., M. M. Nasrallah, D. M. Sparlin y P. E. Parris. Electronic transport and mixed conductivity in perovskite type oxides. Progress report, October 1, 1990--June 30, 1992. Office of Scientific and Technical Information (OSTI), marzo de 1992. http://dx.doi.org/10.2172/10133293.

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Hellstrom, E. E. A study of perovskite electrolytes and electrodes for intermediate - temperature Solid Oxide Fuel Cell (SOFC) applications. Final report, June 1, 1991--December 31, 1996. Office of Scientific and Technical Information (OSTI), septiembre de 1997. http://dx.doi.org/10.2172/542064.

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