4.6 Article

Crystal structure and oxygen content of the double perovskites GdBaCo2-xFexO6-δ

Journal

JOURNAL OF SOLID STATE CHEMISTRY
Volume 199, Issue -, Pages 154-159

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2012.12.013

Keywords

Oxygen content; Double perovskite; Structure transition

Funding

  1. Ministry of Education and Science of the Russian Federation

Ask authors/readers for more resources

The iron solubility limit, x, in GdBaCo2-xFe5O6-delta determined by means of X-ray diffraction was found to be close to 0.65 in air. The crystal structure changes of the double perovskites GdBaCo2-xFexO6-delta (x=0-0.6) were studied by means of in situ X-ray diffraction in temperature range from 25 to 900 C in air. The oxygen content, 6-delta, was determined for these double perovskites in air as a function of temperature by means of thermogravimetric technique in range 25 <= T, C <= 1100. The Pinmm-P4/mmm structure transition was found to occur in GdBaCo2-xFexO6-delta (0 <= x <= 0.4) with increasing temperature. This transition is observed at the same temperature for the compositions with 0 <= x <= 0.1 while the transition temperature reaches maximum for x=0.2 and that decreases linearly with further iron increase. The double perovskite GdBaCo1.4Fe0.6O6-delta was shown to have the tetragonal P4/mmm structure at room temperature. The P4/mmm-Pmmm structure transition occurs at temperature as low as 170 C for this double perovskite while reverse one is already observed at 290 C in air. The Pmmm-P4/mmm structure transition was found to be strongly related to the oxygen content for the undoped and slightly doped (x <= 0.2) double perovskites while there is no such relation for the double perovskites enriched by iron (x >= 0.2). (C) 2012 Elsevier Inc. All rights reserved.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Thermodynamics

Defect structure and thermochemistry of YBaCo2O6-δ

A. L. Sednev-Lugovets, D. S. Tsvetkov, V. V. Sereda, R. E. Yagovitin, A. Yu Zuev, A. Maignan

Summary: The defect structure analysis of the oxygen deficient YBaCo2O6-delta double perovskite cobaltite is in agreement with the model proposed for other double perovskite cobaltites. High-temperature drop calorimetry was used to measure enthalpy increments of samples with different initial oxygen contents, leading to the determination of thermodynamic properties such as standard enthalpy of reduction. The results for YBaCo2O5.0 show a significantly less endothermic behavior compared to other double perovskite cobaltites.

THERMOCHIMICA ACTA (2021)

Article Chemistry, Physical

Defect structure and redox energetics of NdBaCo2O6-δ

Dmitry S. Tsvetkov, Roman E. Yagovitin, Vladimir V. Sereda, Dmitry A. Malyshkin, Ivan L. Ivanov, Andrey Yu Zuev, Antoine Maignan

Summary: The oxygen content and defect reaction thermodynamics of the double perovskite oxide NdBaCo2O6-δ were successfully studied through a combination of experimental measurements and theoretical calculations. The relationship between oxygen content and modes of oxygen exchange was observed, showing good agreement between experimental and calculated values, providing independent verification of the defect structure model.

SOLID STATE IONICS (2021)

Article Thermodynamics

Defect chemistry and high-temperature thermodynamics of PrBaCo2O6-δ

Anton L. Sednev-Lugovets, Vladimir V. Sereda, Dmitry A. Malyshkin, Dmitry S. Tsvetkov, Ivan L. Ivanov, Andrey Yu. Zuev, Antoine Maignan

Summary: The study utilized drop calorimetry and differential scanning calorimetry to investigate the enthalpy increments of PrBaCo2O6-delta double perovskite at various temperatures, yielding valuable analytical expressions and findings for the equilibrium oxygen partial pressure and partial molar enthalpy of oxygen. These results can be used to calculate thermodynamic properties for PrBaCo2O6-delta with different oxygen content.

JOURNAL OF CHEMICAL THERMODYNAMICS (2021)

Article Electrochemistry

Defect-Induced Properties and Thermodynamics of La0.5Ba0.5CoO3-δ

Dmitry A. Malyshkin, Vladimir V. Sereda, Anton L. Sednev-Lugovets, Ivan L. Ivanov, Dmitry S. Tsvetkov, Andrey Yu Zuev

Summary: The defect structure model of La0.5Ba0.5CoO3-delta was validated using a combination of coulometric and thermogravimetric data, providing insights into the thermodynamic properties and chemical stability of the oxide. Additionally, calculations of partial molar enthalpy of oxygen and other thermodynamic parameters were conducted based on the model.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2022)

Review Chemistry, Physical

Chemical lattice strain in nonstoichiometric oxides: an overview

Dmitry S. Tsvetkov, Vladimir V. Sereda, Dmitry A. Malyshkin, Ivan L. Ivanov, Andrey Yu. Zuev

Summary: Chemical expansion, the strong coupling between chemical composition and crystal lattice dimensions, significantly affects the performance of oxide materials in energy conversion and storage devices. This phenomenon is particularly crucial in applications like oxygen-permeating membranes or solid oxide fuel cells (SOFCs), which experience in situ variations in chemical composition and large volume changes. Chemical strain provides insights into local electronic and defect structure and is correlated with diffusion phenomena in high-temperature electrochemical devices.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

Article Thermodynamics

Critical assessment of thermodynamic properties of perovskite-type cesium lead chloride CsPbCl3

D. S. Tsvetkov, M. O. Mazurin, V. V. Sereda, I. L. Ivanov, D. A. Malyshkin, A. Yu Zuev

Summary: By critically evaluating and comparing the results of thermochemical study on the formation thermodynamics of CsPbCl3, the discrepancy in the reported standard formation enthalpy values was identified and corrected using newly obtained solution calorimetric data, resulting in a consistent set of thermodynamic functions for CsPbCl3.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2022)

Article Thermodynamics

Thermochemistry of some amino acid-based layered copper chlorides

M. O. Mazurin, V. V. Sereda, D. S. Tsvetkov, V. D. Ershov, I. L. Ivanov, D. A. Malyshkin, A. Yu. Zuev

Summary: Three different tetrachlorocuprates containing organic ammonium cations were synthesized, and their thermal properties were investigated. The decomposition temperature of A2CuCl4 slightly increased with the length of the aliphatic chain in the cation. The formation enthalpies of these compounds were determined by calorimetry, and the relationship between the layer shift parameter (S) and the reaction enthalpy was analyzed.

JOURNAL OF CHEMICAL THERMODYNAMICS (2023)

Article Biochemistry & Molecular Biology

Nonstoichiometry, Defect Chemistry and Oxygen Transport in Fe-Doped Layered Double Perovskite Cobaltite PrBaCo2-xFexO6-δ (x=0-0.6) Membrane Materials

Ivan L. Ivanov, Petr O. Zakiryanov, Vladimir V. Sereda, Maxim O. Mazurin, Dmitry A. Malyshkin, Andrey Yu. Zuev, Dmitry S. Tsvetkov

Summary: This study provides a detailed investigation on the influence of iron doping on defect chemistry, oxygen nonstoichiometry, and oxygen transport in mixed conducting cobaltites. The results demonstrate that iron doping can optimize the performance of oxygen-conducting materials.

MEMBRANES (2022)

Article Energy & Fuels

Implications of Cation Interdiffusion between Double Perovskite Cathode and Proton-Conducting Electrolyte for Performance of Solid Oxide Fuel Cells

Nadezhda S. S. Tsvetkova, Dmitry A. A. Malyshkin, Ivan L. L. Ivanov, Dmitry S. S. Tsvetkov, Andrey Yu. Zuev

Summary: Chemical compatibility and cation interdiffusion between RBaCo2O6-delta (R = Gd, Pr) and BaZr0.8Y0.2O3-delta were studied. The study found that chemical interaction occurs at 1100 degrees C, leading to partial dissolution of RBaCo2O6-delta (R = Gd, Pr) in BaZr0.8Y0.2O3-delta. Cation interdiffusion, with cobalt being the most mobile, was observed along the cross sections of the diffusion couples. Addition of NiO as a sintering aid promoted cation diffusion, increasing the diffusion depth of Co. The implications of cation interdiffusion on proton-conducting solid oxide fuel cells were discussed based on the results obtained.

ENERGIES (2023)

Article Chemistry, Inorganic & Nuclear

Structural Studies of Potassium Hexaiodoplatinate(IV) K2PtI6

Caleb J. Bennett, Helen E. A. Brand, Alexander K. L. Yuen, Maria K. Nicholas, Brendan J. Kennedy

Summary: The temperature dependence of the crystal structure of Potassium Hexaiodoplatinate(IV) between 80 and 500 K is studied. Different crystal structures are observed at different temperatures, including monoclinic, tetragonal, and cubic structures. Accurate determination of the structures of K2PtI6 is important for further theoretical and practical research.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Phosphate adsorption by amino acids intercalated calcium aluminum hydrotalcites: Kinetic, isothermal and mechanistic studies

Zhuo Zeng, Jiangfu Zheng, Xiaoming Li, Changzheng Fan, Rongying Zeng, Wenqing Tang

Summary: An efficient method for phosphate removal from wastewater is urgently needed due to the environmental issue caused by excessive phosphorus. In this study, calcium aluminum layered double hydroxides (CaAl-LDHs) and six amino acid intercalated calcium aluminum layered double hydroxides (CaAl-amino acid-LDHs) were prepared and compared for their phosphate adsorption performance. L-Aspartic acid intercalated calcium aluminum layered double hydroxides (CaAl-Asp-LDHs) exhibited the highest phosphate adsorption capacity and faster removal rate compared to CaAl-LDHs. The phosphate adsorption mechanism on CaAl-Asp-LDHs involved electrostatic attraction, hydrogen bonds, complexation, and ion exchange. This environmentally friendly material shows promising potential for efficient phosphate removal from aquatic environments.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Crystal structure and thermal behavior of three potential high-energy compounds of hydro-closo-borates with guanidinium

Rouzbeh Aghaei Hakkak, Thomas Schleid

Summary: The novel guanidinium hydro-closo-borates with [BnHn]2- (n = 10 and 12) anions were successfully synthesized via direct reaction. The crystal structures exhibit hydrogen bonding interactions and have the potential to facilitate H2 generation.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Synthesis of nano-crystal PVMo2W9@[Cu6O(TZI)3(H2O)6]4•nH2O for catalytically biodiesel preparation

Liqiang Ma, Pengpeng Wei, Jingfang Li, Liye Liang, Guangming Li

Summary: A novel catalyst, H4PVMo2W9O40@rht-MOF-1, was developed using a one-pot hydrothermal method. It exhibited high efficiency and reusability in esterification reactions.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Order-disorder transition and thermal behavior of paracelsian-type MGa2Ge2O8 (M = Sr, Ba) compounds

Liudmila A. Gorelova, Valentiva A. Yukhno, Maria G. Krzhizhanovskaya, Oleg S. Vereshchagin

Summary: Two new Ga-Ge disordered feldspar-related compounds were successfully synthesized using melt crystallization methods. Their stability and thermal expansion properties were studied under high-temperature conditions. The results showed that both compounds are stable within the studied temperature range and exhibit anisotropic thermal expansion.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Synthesis, structural study, and Na plus migration pathways simulation of the new phase Na3Al3(AsO4)4

Seifeddine Bdey, Nesrine Boussadoune, Francois Allard, Jacques Huot, Gabriel Antonius, Noura Fakhar Bourguiba, Pedro Nunez

Summary: The structure of a novel arsenate compound Na3Al3(AsO4)4 has been determined using X-ray diffraction. The crystal exhibits a monoclinic space group with suitable pathways for Na+ ion migration. The accuracy of the structural model was confirmed using various validation tools and density functional theory calculations.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Synthesis of new oxygen deficient triple layered perovskite oxides LaSr3Fe3-xCrxO10-δ (x=0.0, 0.2, and 0.5): Structural, optical, magnetic and photocatalytic properties

Amit Kumar Atri, Ujwal Manhas, Sumit Singh, Irfan Qadir, Shikha Sharma, Preteek Sharma, Devinder Singh

Summary: This study synthesizes new oxygen deficient triple layered Ruddlesden-Popper (RP) phases via sol-gel method and investigates the effects of Cr3+ doping on their structural, optical, magnetic, and photocatalytic properties. The experimental results demonstrate that Cr3+ doping alters the interactions and leads to excellent photocatalytic performance in some phases.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Downsizing FeNb11O29 anode material through ultrafast solid-state microwave-assisted synthesis for enhanced electrochemical performance

Dat Le Thanh, Amandine Guiet, Emmanuelle Suard, Romain Berthelot

Summary: In this study, FeNb11O29 powder samples were prepared using a microwave-assisted solid-state synthesis method for the first time. The samples obtained rapidly from submicrometric oxide precursors showed enhanced cycling performance, possibly due to the easier ionic diffusion occurring in the smaller particles.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Single-crystal structure and theoretical calculations of the second ternary tellurium borate Te2B2O7

Raimund Ziegler, Felix R. S. Purtscher, Thomas S. Hofer, Gunter Heymann, Hubert Huppertz

Summary: We have successfully synthesized a new tellurium borate crystal under high-pressure and high-temperature conditions. The crystal structure and theoretical calculations have been thoroughly discussed.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Two new multinary chalcogenides with (Se2)2- dimers: Ba8Hf2Se11(Se2) and Ba9Hf3Se14(Se2)

Subhendu Jana, Eric A. Gabilondo, Paul A. Maggard

Summary: This study reports the synthesis and characterization of two previously unknown multinary selenides, Ba8Hf2Se11(Se-2) and Ba9Hf3Se14(Se-2), which display unique structures and optoelectronic properties competitive with existing perovskite-type chalcogenides.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Research on mathematical algorithm to determine the chemical diffusion coefficient of hydrogen in CaZrO3 based proton conductor at high temperature

Fei Ruan, Chonggui Lei, Fenglong Zhang, Jinxiao Bao, Fen Zhou, Min Xie, Pengfei Xu, Jianquan Gao

Summary: Studying the diffusion properties of hydrogen is important for designing new proton conductors. In the past, the chemical diffusion coefficient of hydrogen in proton conductors was usually obtained through a manual calculation method, resulting in difficulty in controlling the calculation accuracy. To address this issue, a mathematical algorithm and C language computer program were developed to calculate the chemical diffusion coefficient based on Fick's second law and Romberg numerical integral. The algorithm showed high precision and powerful computing function, and has the potential to replace the manual calculation method in calculating the chemical diffusion coefficient for hydrogen in proton conductors.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Enhanced power factor and thermoelectric efficiency in Cu2Sn1- xYxSe3 system: A low-temperature study

Deepika Shanubhogue, Suraj Mangavati, Ashok Rao, Ru-Ting Tsao, Yung-Kang Kuo

Summary: In this study, the effect of Y doping at the Sn-site on the structural, electrical, and low-temperature thermoelectric properties of the Cu2SnSe3 system is investigated. Y-doped compounds Cu2Sn1-xYxSe3 show reduced electrical resistivity, enhanced power factor, and decreased thermal conductivity, resulting in higher ZT values.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Formamide-assisted synthesis of SnS2 nanosheets for high capacity and stable Li-ion battery

Wei Hong, Min Qing, Xun He, Lei Wang, Yu Pu, Qiyu Li, Zhimin He, Qin Dong, Rong Li, Xinglong Gou

Summary: This study developed a simple method to prepare SnS2 nanosheets and assembled them with MXene to form SnS2/MXene. The composite material exhibited abundant active sites, superior electron/ion transfer kinetics, and a unique 2D interlayer structure, resulting in high specific capacity, outstanding rate capability, and excellent cycling stability, with potential applications in LIBs.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Assembly of two trinuclear-cluster-based metal-organic frameworks: Structures and methanol electro-oxidation properties

Heng-Yu Ruan, Xue-Qian Wu, Tian-Yu Zhang, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li

Summary: Two isostructural metalorganic frameworks (MOFs), CTGU-36-Co and CTGU-36-Ni, were synthesized, and CTGU-36-Ni demonstrated high activity as a molecular electrocatalyst for the methanol oxidation reaction.

JOURNAL OF SOLID STATE CHEMISTRY (2024)

Article Chemistry, Inorganic & Nuclear

Synthesis, structural, morphology, spectroscopic and optical study of new metal orthophosphate MII(Ga0.5Sb0.5)(PO4)2 (MII= Sr, Pb, Ba) compounds

Rachid Fakhreddine, Ali Ouasri, Abderrahim Aatiq

Summary: This paper reports the synthesis, structure, and spectroscopic studies of three novel metal orthophosphate salts. The structures of these compounds were refined using X-ray powder diffraction data. The infrared and Raman analysis revealed their symmetries and the UV-visible investigation determined their optical properties.

JOURNAL OF SOLID STATE CHEMISTRY (2024)