Enhanced Li-Transport on the Nanoscale: TiO2-B Nanowires


Article Preview

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.



Edited by:

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

Online since:

May 2010




[1] M. Armand and J-M. Tarascon: Nature Vol. 451 (2008), p.653.

[2] E. Baudrin, S. Cassaignon, M. Koelsch, J. -P. Jolivet, L. Dupont and J-M. Tarascon: Electrochem. Comm. Vol. 9 (2007), p.337.

[3] M.A. Reddy, M.S. Kishore, V. Pralong, V. Cainaert, U.V. Varadaraju and B. Raveau: Electrochem. Comm. Vol. 8 (2006), p.1299.

[4] M.A. Reddy, M.S. Kishore, V. Pralong, U.V. Varadaraju and B. Raveau: Electrochem. SolidState Lett. Vol. 10 (2007), p. A29.

[5] A.R. Armstrong, G. Armstrong, J. Canales and P.G. Bruce: Angew. Chem. -Int. Ed. Vol. 43 (2004), p.2286.

[6] P.G. Bruce, B. Scrosati and J. -M. Tarascon: Angew. Chem. -Int. Ed. Vol. 47 (2008), p.2930.

[7] G. Armstrong, A.R. Armstrong, P.G. Bruce, P. Reale and P. B. Scrosati: Adv. Mater. Vol. 18 (2006), p.2597.

[8] B. Zachau-Christiansen, K. West, T. Jacobsen and S. Atlung: Solid State lonics Vol. 28-30 (1988), p.1176.

[9] M.V. Koudriachova, N.M. Harrison and S.W. de Leeuw: Phys. Rev. Lett. Vol. 86 (2001), p.1271.

[10] M. Zukalova, M. Kalbac, L. Kavan, I. Exnar and M. Graetzel: Chem. Mater. Vol. 17 (2005), p.1248.

[11] M. Wilkening, C. Lyness, A. R. Armstrong and P.G. Bruce: J. Phys. Chem. Vol. 113 (2009), p.4741.

[12] G. Nuspl, K. Yoshizawa, T. Yamabe: J. Mater. Chem., Vol. 7 (1997), p.2529.

[13] CASTEP 3. 9 Academic version, licensed under the UKCP-MSI agreement, (1999).

[14] J.P. Perdew: Phys. Rev. B Vol. 34 (1986), p.7406.

[15] D. Vanderbilt: Phys. Rev. B Vol. 41 (1990), p.7892.

[16] T.P. Feist and P.K. Davies: J. Solid State Chem., Vol 101 (1992), p.275.

[17] L. Brohan and R. Marchand: Solid State Ionics, Vol. 9/10 (1983), p.419.

[18] M. Koudriachova: J. Solid State Electrochem. (2008), 10. 1007/s10008-008-0654-8.

Fetching data from Crossref.
This may take some time to load.