Thermal expansion and ionic conductivity of K5A0.5Hf1.5(MoO4)6 (A = Sr, Pb)

IF 3.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Solid State Sciences Pub Date : 2025-02-01 DOI:10.1016/j.solidstatesciences.2024.107816

Evgeniy Kovtunets , Yunna Tushinova , Tatyana Spiridonova , Tsyrendyzhit Bazarova , Alexandra Logvinova , Alexandr Bogdanov , Bair Bazarov

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Abstract

Compounds K₅A_0.5Hf_1.5(MoO₄)₆ (A = Sr, Pb) were synthesized using solid-state ceramic method. The sequence of chemical reactions that occur during the formation of these compounds has been elucidated. It was determined that the compounds melt incongruently at 628 °C, and their crystal structures were refined using the Rietveld method. Theoretical IR spectra were calculated using the obtained structural data and DFT modeling results. These spectra exhibited a high degree of correlation with the experimental data, thereby confirming the presence of isolated MoO₄ groups within the structure. It has been shown that the electrical conductivity of K₅A_0.5Hf_1.5(MoO₄)₆ (A = Sr, Pb) reached about 10⁻⁴ S/cm, which exceeds the conductivity of previously studied similar ternary molybdates. BVSE calculations indicated a high probability of oxygen transport in the studied compounds. Thermal deformations were studied by high temperature powder X-ray diffraction in the temperature range of 30–500 °C. The results showed that the ternary molybdates K₅A_0.5Hf_1.5(MoO₄)₆ (A = Sr, Pb) are materials with high thermal expansion (α_V = 40–56 x10⁻⁶ °C^–1) and exhibit anisotropy along the crystallographic c-axis.

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来源期刊

Solid State Sciences 化学-无机化学与核化学

CiteScore

6.60

自引率

2.90%

发文量

214

审稿时长

27 days

期刊介绍： Solid State Sciences is the journal for researchers from the broad solid state chemistry and physics community. It publishes key articles on all aspects of solid state synthesis, structure-property relationships, theory and functionalities, in relation with experiments. Key topics for stand-alone papers and special issues: -Novel ways of synthesis, inorganic functional materials, including porous and glassy materials, hybrid organic-inorganic compounds and nanomaterials -Physical properties, emphasizing but not limited to the electrical, magnetical and optical features -Materials related to information technology and energy and environmental sciences. The journal publishes feature articles from experts in the field upon invitation. Solid State Sciences - your gateway to energy-related materials.