YSr2Cu2-xFe1+xO7+δ氧化物的热力学稳定性和功能性质受特定缺陷相互作用控制

IF 4.3 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids Pub Date : 2025-05-27 DOI:10.1016/j.jpcs.2025.112884

K.S. Tolstov, E.I. Protasova, B.V. Politov, A.M. Shalamova, A. Yu Suntsov

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引用次数: 0

摘要

采用固态合成法制备了具有钙钛矿样结构的YSr2Cu2-xFe1 +xO7+δ铜酸铁（x = 0,0.25, 0.5）。发现氧脱层对陶瓷样品电导率和线伸长率的温度依赖性有显著影响；750 K，这与氧气在气相释放的开始有关。提出了一种缺陷结构模型，该模型基于铜和铁离子之间的电子交换反应、氧从气相进入晶格并随后氧化铁离子、反位缺陷形成和相邻位置之间的氧交换。数学分析使理论曲线和实验库伦数据具有良好的收敛性，从而可以正确地再现YSr2Cu1.75Fe1.25O7+δ氧化物的热重曲线和实验测量的塞贝克系数。

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Thermodynamic stability and functional properties of YSr2Cu2-xFe1+xO7+δ oxides governed by specific defect interactions

YSr₂Cu_2–xFe_1+xO_7+δ ferrocuprates (x = 0, 0.25, 0.5) with a perovskite-like structure were obtained using solid-state synthesis. A pronounced influence of oxygen deintercalation was found on the temperature dependences of electrical conductivity and linear elongation of ceramic samples at T > 750 K, which was associated with the beginning of oxygen release in the gas phase. A defect structure model was proposed, which is based on electron exchange reactions between copper and iron ions, the incorporation of oxygen into the lattice from the gas phase with subsequent oxidation of iron ions, antisite defect formation and oxygen exchange between adjacent positions. Mathematical analysis made it possible to show good convergence of theoretical curves and experimental coulometric data, which also allowed to correctly reproduce thermogravimetric curves and experimentally measured Seebeck coefficient of YSr₂Cu_1.75Fe_1.25O_7+δ oxide.

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来源期刊

Journal of Physics and Chemistry of Solids 工程技术-化学综合

CiteScore

7.80

自引率

2.50%

发文量

605

审稿时长

40 days

期刊介绍： The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.