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YTiO - YNbO固溶体的电导率、结构和热力学

Conductivity, structure, and thermodynamics of YTiO-YNbO solid solutions.

作者信息

Winiarz Piotr, Mielewczyk-Gryń Aleksandra, Lilova Kristina, Wachowski Sebastian, Subramani Tamilarasan, Abramchuk Mykola, Dzik Ewa, Navrotsky Alexandra, Gazda Maria

机构信息

Gdańsk University of Technology, Faculty of Applied Physics and Mathematics, Narutowicza 11/12, 80-233 Gdańsk, Poland.

School of Molecular Sciences and Center for Materials of the Universe, Arizona State University, Tempe, AZ 85287, USA.

出版信息

Dalton Trans. 2020 Aug 11;49(31):10839-10850. doi: 10.1039/d0dt02156c.

DOI:10.1039/d0dt02156c
PMID:32705110
Abstract

The defect fluorite yttrium niobate Y3NbO7 and pyrochlore yttrium titanate Y2Ti2O7 solid solutions have been synthesized via a solid state synthesis route. The resulting stoichiometry of the oxides is Y2+xTi2-2xNbxO7, where x = 0 to x = 1. All of the samples were single-phase; however, for those with a predominant fluorite phase, a small amount of additional pyrochlore phase was detected. The volume of the solid solution unit cells linearly increases with increase in yttrium niobate content. The water uptake increases with (x) and the protonic defect concentration reaches almost 4.5 × 10-3 mol mol-1 at 300 °C. The calculated enthalpy of formation from oxides suggests strong stability for all of the compositions, with the values of enthalpy ranging from -84.6 to -114.3 kJ mol-1. The total conductivity does not have a visible dependence on Y3NbO7 content. For each compound, the total conductivity is higher in wet air. Interestingly, for samples where x < 0.5, the ratio of conductivity in hydrogen to air increases with increasing temperature, while for x > 0.5, the trend is the opposite.

摘要

通过固态合成路线合成了缺陷萤石型钇铌酸盐Y3NbO7和烧绿石型钛酸钇Y2Ti2O7固溶体。所得氧化物的化学计量比为Y2+xTi2-2xNbxO7,其中x = 0至x = 1。所有样品均为单相;然而,对于那些以萤石相为主的样品,检测到少量额外的烧绿石相。固溶体晶胞的体积随钇铌酸盐含量的增加而线性增加。吸水量随(x)增加,在300°C时质子缺陷浓度几乎达到4.5×10-3 mol mol-1。由氧化物计算得出的生成焓表明所有组成都具有很强的稳定性,焓值范围为-84.6至-114.3 kJ mol-1。总电导率对Y3NbO7含量没有明显依赖性。对于每种化合物,在潮湿空气中总电导率更高。有趣的是,对于x < 0.5的样品,氢气中与空气中的电导率之比随温度升高而增加,而对于x > 0.5,趋势则相反。

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