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Materials, Volume 12, Issue 18 (September-2 2019)
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Cover Story (view full-size image) The challenges in finding new low cost, safe and high capacity electrode materials for Li-ion [...] Read more. The challenges in finding new low cost, safe and high capacity electrode materials for Li-ion batteries have become immense. Computer modelling techniques play a key role in examining defect and diffusion properties that are relevant to the development of batteries. Current computational simulation on Li2Ti6O13 material shows that Li-ion diffusion is fast in this material. Furthermore, doping Co3+ at the Ti site is identified as an efficient strategy to introduce extra Li in Li2Ti6O13 leading to high capacity. View this paper.