自然键轨道
材料科学
拉曼光谱
离子半径
陶瓷
分析化学(期刊)
热障涂层
热导率
热稳定性
离子电导率
矿物学
结晶学
物理化学
化学
密度泛函理论
离子
计算化学
复合材料
物理
光学
电解质
色谱法
有机化学
电极
作者
Lin Chen,Peng Wu,Peng Song,Jing Feng
摘要
Abstract In this work, RE 3 NbO 7 ceramics are synthesized via solid‐state reaction and the phase structure is characterized by X‐ray diffraction and Raman spectroscopy. The relationship between crystal structure and thermophysical properties is determined. Except Sm 3 NbO 7 , each RE 3 NbO 7 exhibits excellent high‐temperature phase stability. The thermal expansion coefficients increase with the decreasing RE 3+ ionic radius, which depends on the decreasing crystal lattice energy and the maximum value reaches 11.0 × 10 −6 K −1 at 1200°C. The minimum thermal conductivity of RE 3 NbO 7 reaches 1.0 W m −1 K −1 and the glass‐like thermal conductivity of Dy 3 NbO 7 is dominant by the high concentration of oxygen vacancy and the local structural order. The outstanding thermophysical properties pronounce that RE 3 NbO 7 ceramics are potential thermal barrier coating materials.
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