New Paper - "Effects of Gallium Doping in Garnet-Type Li₇La₃Zr₂O₁₂ Solid Electrolytes"

M.J.D. Rushton — Mon, 20 Apr 2015 14:15:39 GMT

The accepted manuscript of our new paper on gallium doping in LLZrO battery materials is now available online:

R. Jalem, M.J.D. Rushton, W. Manalastas Jr, M. Nakayama, T. Kasuga, J.A. Kilner, and Robin W. Grimes, "Effects of Gallium Doping in Garnet-Type Li₇La₃Zr2O₁₂ Solid Electrolytes ", Chemistry of Materials (2015). doi:10.1021/cm5045122

![Percolation Pathways in LLZrO][image]

The paper is the result of an ongoing collaboration between the group and Dr. Randy Jalem. Randy originally spent several months with us at Imperial whilst visiting us as a PhD student from Nagoya Institute of Technology (Japan) and we would like to thank him and the other authors for all their hard work in bringing this to completion.

Research highlights:

LLZrO is a candidate for use as solid electrolytes in battery applications.
The effects of Ga doping on the structure are considered.
Ga is found to stabilise the cubic phase.
The connectivity of Li percolation networks in LLZrO are visualised.

New Paper - "Genetics of superionic conductivity in lithium lanthanum titanates"

M.J.D. Rushton — Sat, 22 Nov 2014 11:40:34 GMT

We are pleased to announce the publication of our new paper on lithium diffusion within lithium lanthanum titanate:

E.E. Jay, M.J.D Rushton, A. Chroneos, R.W. Grimes and J.A. Kilner, “Genetics of superionic conductivity in lithium lanthanum titanates”, Physical Chemistry Chemical Physics, (2014). doi:10.1039/C4CP04834B

Lithium lanthanum titanate (LLTO) is a material that shows high lithium diffusivity even at room temperature, this makes it of considerable interest for battery applications. In the present paper we set out to try and understand how the arrangement of lanthanum atoms within this material leads to LLTO’s beneficial properties. This was achieved by using a genetic algorithm to search for configurations with particularly high diffusivities. These were then examined to see what could be gleaned from their structure in order to unlock the key to LLTO’s beneficial properties. The paper can be found here.

Atomistic Simulation Group (Posts about battery)

New Paper - "Effects of Gallium Doping in Garnet-Type Li₇La₃Zr₂O₁₂ Solid Electrolytes"

New Paper - "Genetics of superionic conductivity in lithium lanthanum titanates"