Enhanced Li-Transport on the Nanoscale: TiO2-B Nanowires
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.
Prof. Andreas Öchsner, Prof. Irina V. Belova and Prof. Graeme E. Murch
M. V. Koudriachova "Enhanced Li-Transport on the Nanoscale: TiO2-B Nanowires", Journal of Nano Research, Vol. 11, pp. 159-164, 2010