Corpus ID: 209531835

Mobile Small Polarons Explain Conductivity in Lithium Titanium Oxide Battery Electrodes.

@article{Kick2020MobileSP,
  title={Mobile Small Polarons Explain Conductivity in Lithium Titanium Oxide Battery Electrodes.},
  author={Matthias Kick and Cristina Grosu and Markus Schuderer and Christoph Scheurer and Harald Oberhofer},
  journal={arXiv: Materials Science},
  year={2020}
}
Lithium titanium oxide Li$_4$Ti$_5$O$_{12}$ (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)charging of the cell. However, its usage is limited by its low intrinsic electronic conductivity. Introducing oxygen vacancies can be one method to overcome this drawback, possibly by altering the charge carrier transport mechanism. We use Hubbard corrected density-functional theory (DFT+U) to show that polaronic states… Expand

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