Amorphous lilatio3 as solid electrolyte material

Zhangfeng Zheng, Huazhi Fang, Fan Yang, Zi-kui Liu, Yan Wang

Research output: Contribution to journalArticle

22 Scopus citations

Abstract

Amorphous lithium lanthanum titanate (LLTO) thin films were successfully prepared by a sol-gel method with an all-alkoxide based route. The thin film resistance was determined from the complex spectra by fitting experimental data to the equivalent circuit. The ionic conductivities of amorphous LLTO thin films were 4.5 x 10-6,6.9 x 10-6,1.3 x 10-5, and 3.8 x 10-5 S/cm at 30̊C, 50̊C, 70̊C, and 90̊C, respectively. The activation energy of lithium ion conduction in the thin film was evaluated to be 0.36 eV in the temperature range of 30-90̊C. The structure of amorphous LLTO was predicted by the ab-initio molecular dynamics (AIMD) simulations and analyzed by partial pair distribution functions, coordination numbers and Voronoi tessellation. It is observed that the local environment of Ti in amorphous LLTO is quite similar to that in the crystal state but the atomic packing is much less dense. The ionic diffusivities were derived from the mean square displacement curves and the conductivities were evaluated from the Nernst-Einstein's relation, showing good agreement with experimental data. The good ionic conductivity of amorphous LLTO is attributed to its open and disordered structure with large excessive volumes.

Original languageEnglish (US)
JournalJournal of the Electrochemical Society
Volume161
Issue number4
DOIs
StatePublished - 2014

All Science Journal Classification (ASJC) codes

  • Electrochemistry
  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Renewable Energy, Sustainability and the Environment
  • Condensed Matter Physics

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