Enhanced Li-Transport on the Nanoscale: TiO2-B Nanowires
| Periodical | Journal of Nano Research (Volume 11) |
|---|---|
| Main Theme | Journal of Nano Research Vol. 11 |
| Pages | 159-164 |
| DOI | 10.4028/www.scientific.net/JNanoR.11.159 |
| Citation | Marina V. Koudriachova, 2010, Journal of Nano Research, 11, 159 |
| Online since | May, 2010 |
| Authors | Marina V. Koudriachova |
| Keywords | Ab Initio Simulation, Diffusion, Electrode Material, Li Battery, Nanowire, TiO2-B |
| Price | US$ 28,- |
The origin of enhanced intercalation of Li-ions into TiO2-B is being examined using first principles density functional calculations. Using advanced simulation techniques, we built a comprehensive description of Li-intercalation into TiO2-B and demonstrate that it acts as a capacitor at [Li]/[Ti] ≤ 0.5, while at higher concentrations the insertion capacity is limited by Li self-diffusion.