Journal of Chemical Physics, Vol.121, No.5, 2348-2355, 2004
Li intercalation in TiO2 anatase: Raman spectroscopy and lattice dynamic studies
Raman spectra of the electrochemically lithiated TiO2 anatase are reported. They evidence spectral features induced by Li intercalation in the high-frequency region. Emergence of these lines supports recent hypothesis [M. Wagemaker , J. Am. Chem. Sec. 125, 840 (2003)] for formation of short Li-O valence bonds. This suggestion is verified by the lattice dynamics simulation based on the potential model with Li-O force constants extrapolated from known studies of the lithium oxide compounds. The obtained results confirm assumption of multiple Li positions and provide assignment of all the observed spectral features. (C) 2004 American Institute of Physics.