Ionic conductors, solid electolytes, cathode materials 


Our results

Building of migration maps for mobile cations
Search for potential solid electrolytes and cathode materials in crystal structure databases
Calculation of the energetic parameters of ion migration in crystal structures (migration barriers, cathode potential)
Modelling of the deintercalated state of cathode materials
Calculation of the diffusion coefficient for mobile ions
Analysis of the electron conductivity

Our expertise

We have developed methods, algorithms and software for analysis of experimental crystal structure data and construction of the migration maps for mobile ions
We have obtained lists of potential solid electrolytes with mobile Li+, Na+ and K+ cations
We have obtained lists of perspective cathode materials
We have computed migration barriers for mobile ions in a number of perspective solid electrolytes and cathode materials


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