Hopping conductivity in V2O5-P2O5 glasses: Experiment and non-constant force field molecular dynamics

• Published in: Solid state ionics 2020-02, Vol.345, p.115180, Article 115180
• Main Authors: Saiko, I.A., Saetova, N.S., Raskovalov, A.A., Il'ina, E.A., Molchanova, N.G., Kadyrova, N.I.
• Format: Article
• Language: English
• Subjects: Atomic beam spectroscopy; Conductivity; Diffraction; Direct current; Electrical resistivity; Electron hopping; Electronic conductivity; Glass; Heat conductivity; Hopping conduction; Molar volume; Molecular dynamics; Non-constant force field; Phosphorus pentoxide; Spectrum analysis; Titration; Vanadate glasses; Vanadate phosphate glasses; Vanadium oxides; Vanadium pentoxide; X ray powder diffraction
• ISSN: 0167-2738; 1872-7689
• DOI: 10.1016/j.ssi.2019.115180

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 cm−1 and Vmol = 54.17 + 6.36·xV2O5 cm3 mol−1. 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 × 10−4 S cm−1 at 50 °C. The concentration dependence of the conductivity is described at a qualitative level with non-constant force field molecular dynamics. •Glasses in xV2O5–(1-x)P2O5 have been obtained within x range from 35 to 95 mol%.•The concentration dependence of conductivity can be divided into three regions.•The glass with x = 95 mol% has the highest conductivity (10−4 Scm−1 at 50 °C).•The simulated conductivity reproduced the same trend as experimental one.