Dedryvère R, Leroy S, Martinez H, Blanchard F, Lemordant D, Gonbeau D
LCTPCM, Université de Pau, Hélioparc Pau Pyrénées, 2 av. Pierre Angot, 64053 Pau Cedex 9, France.
J Phys Chem B. 2006 Jul 6;110(26):12986-92. doi: 10.1021/jp061624f.
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.
通过密度泛函理论（DFT）计算记录并分析了锂盐LiBF4、LiPF6、LiTFSI和LiBETI的X射线光电子价谱，实验光谱与计算光谱吻合良好。本研究结果用于表征使用含LiTFSI或LiBETI盐的有机碳酸酯电解质的锂离子电池中石墨负极的电极/电解质界面。通过结合X射线光电子能谱（XPS）的芯峰/价态分析，我们确定了界面的主要成分。根据使用LiTFSI还是LiBETI作为锂盐，可以证明表面层成分的差异。
