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Hopping conductivity in V2O5-P2O5 glasses: Experiment and non-constant force field molecular dynamics
Solid State Ionics ( IF 3.0 ) Pub Date : 2019-12-11 , DOI: 10.1016/j.ssi.2019.115180
I.A. Saiko , N.S. Saetova , A.A. Raskovalov , E.A. Il'ina , N.G. Molchanova , N.I. Kadyrova

Glasses in xV2O5–(100-x)P2O5 system within x range from 35 to 95 mol% are obtained by a melt-quenching method and characterized by X-ray powder diffraction, atomic emission spectroscopy and red-ox titration. The dependences of density and molar volume of glasses on V2O5 concentration are linear up to 90 mol% of vanadium oxide and can be expressed via formulas: ρ = 2.64 + 0.36·xV2O5 g cm1 and Vmol = 54.17 + 6.36·xV2O5 cm3 mol1. The electronic conductivity of glasses is measured by both impedance spectroscopy and direct current methods. The glass composition of 95V2O5·5P2O5 shows the highest electrical conductivity value of ~1.0 × 104 S cm1 at 50 °C. The concentration dependence of the conductivity is described at a qualitative level with non-constant force field molecular dynamics.



中文翻译:

V 2 O 5 -P 2 O 5玻璃中的跳跃电导率:实验和非恒定力场分子动力学

通过熔融猝灭法获得x V 2 O 5 –(100- x)P 2 O 5体系中x范围为35到95 mol%的玻璃,并通过X射线粉末衍射,原子发射光谱和红色荧光对玻璃进行表征。牛滴定。玻璃的密度和摩尔体积对V 2 O 5浓度的线性关系高达90 mol%的氧化钒,可以通过以下公式表示:ρ= 2.64 + 0.36· x V 2 O 5 g cm - 1V mol  = 54.17 + 6.36· x V2 O 5 cm 3  mol - 1。眼镜的电子电导率可通过阻抗光谱法和直流电法进行测量。的95V的玻璃组合物2 ö 5 ·5P 2 ö 5示出了〜1.0×10的最高电导率值- 4 小号厘米- 1在50℃下。电导率的浓度依赖性在定性水平下用非恒定力场分子动力学描述。

更新日期:2019-12-11
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