Studies of interfacial reactions on thin film electrodes of Sn during initial cycling using infrared spectroscopy

Interfacial reactions of Sn during initial cycling in 1 M LiPF6/EC:DMC (1:1) were studied by characterizing the surface species formed on thin film electrodes of Sn, prepared with a pulsed laser deposition, using ex-situ ATR FTIR spectroscopy and microscopy. FTIR analyses indicated that at high voltage region above 1.0 V vs. Li/Li+ the surface of Sn electrode was covered by PF-containing inorganic species probably by the interfacial reactions between Sn and PF6− anions. With charging to 0.63 V low amounted organic species with carboxylate metal salt and alkyl functionalities appeared, due to the reductive decomposition of organic solvents. The organic surface species however were destroyed upon a deep charge to 0.1 V and reproduced on the subsequent discharge process, whereas P–F containing inorganic species remained preserved. No sustainment of organic surface species but the stable passivation of Sn surface by PF-containing species during initial cycling are believed to cause unstable interfacial structure and the possibility of reduced utilization of active Sn, respectively, resulting in the large initial irreversible capacity loss.