Electron energy-loss spectroscopy in the low-loss region as a characterization tool of electrode materials

Abstract

Energy losses below 100 eV are by far less exploited than higher losses in electron energy-loss spectroscopy. Two new examples are given to illustrate the characterization possibilities offered by spectra in this energy range. Typical materials that could be used as electrodes in electrochemical cells were chosen as application cases. Through the use of calculations based on density functional theory, we first demonstrate that the first peak present at the lithium K edge in LixTiP4 can give access to the precise localisation of inserted Li atoms in the f.c.c. structure. In particular, different tetrahedral sites could be differentiated according to their distance to the Ti site. Secondly, calculations of valence electron energy-loss spectra of perovskite materials indicate that a characteristic peak for regular perovskite (Pm \(\overline 3 \)m space group) exists in the 10–15 eV range. The high sensitivity of this peak to the distortion of the octahedron arrangements is also demonstrated.