XPS valence characterization of lithium salts as a tool to study electrode/electrolyte interfaces of Li-ion batteries

Rémi Dedryvère (1) , S. Leroy , Hervé Martinez (1) , Fabian Blanchard (2) , D. Lemordant , Danielle Gonbeau (3, 1)

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux
2 IBCP - Institut de biologie et chimie des protéines [Lyon]
3 LCTPCM - Laboratoire de Chimie théorique et Physico-chimie moléculaire

X-ray photoelectron valence spectra of lithium salts LiBF4, LiPF6, LiTFSI, and LiBETI have been recorded and analyzed by means of density functional theory (DFT) calculations, with good agreement between experimental and calculated spectra. The results of this study are used to characterize electrode/electrolyte interfaces of graphite negative electrodes in Li-ion batteries using organic carbonate electrolytes containing LiTFSI or LiBETI salts. By a combined X-ray photoelectron spectroscopy (XPS) core peaks/valence analysis, we identify the main constituents of the interface. Differences in the surface layers' composition can be evidenced, depending on whether LiTFSI or LiBETI is used as the lithium salt. © 2006 American Chemical Society.

Mots clés: Electrochemical electrodes; Electrode/electrolyte interfaces; Electrolytes; Interfaces (materials); Lithium; Lithium batteries; Lithium salts; Organic carbonate electrolytes; Probability density function; Salts; XPS valence characterization; X ray photoelectron spectroscopy

Domaines: Chimie; Matériaux

Rémi Dedryvère, S. Leroy, Hervé Martinez, Fabian Blanchard, D. Lemordant, et al.. XPS valence characterization of lithium salts as a tool to study electrode/electrolyte interfaces of Li-ion batteries. Journal of Physical Chemistry B, 2006, 110 (26), pp.12986--12992. ⟨10.1021/jp061624f⟩. ⟨hal-01503998⟩