Lithium-ion batteries (LIBs) with high-nickel ternary material cathode can provide a high specific capacity but are more sensitive to the H₂O/HF contents and functional additives in the electrolyte. In this work, 1,4-phenylene diisocyanate (PPDI) is developed as an H₂O/HF scavenger and film-forming electrolyte additive to enhance the performances of pouch LiNi_0·6Co_0·2Mn_0·2O₂ (NCM622)/graphite batteries. Compared with batteries containing the blank electrolyte, the electrochemical performances of batteries with the PPDI-containing electrolyte can be significantly improved. Thereinto, after 600 cycles at room temperature (25 °C) and 300 cycles at high temperature (45 °C), the capacity retentions for the batteries with the PPDI-containing electrolyte are 84.9% and 81.3% at 1C, while the rates for the batteries with the blank electrolyte are only 29.3% and 14.4%, respectively. With the aid of theory calculations and spectroscopic characterization, the reasons behind the performance enhancement are elucidated, and the reaction mechanism of PPDI and H₂O/HF is proposed. It is demonstrated that PPDI can scavenge H₂O/HF in the electrolyte and form stable and highly conductive films on two electrodes to stabilize NCM622 and improve battery performances. Besides the functionalized electrolyte, this work can also inspire new ideas to develop functionalized electrolytes for high-performance NCM622-based LIBs.

具有高镍三元材料阴极的锂离子电池（LIB）可以提供高比容量，但对电解质中的H ₂ O / HF含量和功能性添加剂更敏感。在这项工作中，开发了1,4-亚苯基二异氰酸酯（PPDI）作为H ₂ O / HF清除剂和成膜电解质添加剂，以增强袋装LiNi _{0 · 6} Co _{0 · 2} Mn _{0 · 2} O _{2的性能。}（NCM622）/石墨电池。与含有空白电解质的电池相比，具有含PPDI的电解质的电池的电化学性能可以得到显着改善。其中，在室温（25°C）下600个循环和在高温（45°C）下300个循环后，含PPDI电解液的电池在1C下的容量保持率分别为84.9％和81.3％，而带有空白电解质的电池分别仅为29.3％和14.4％。借助理论计算和光谱表征，阐明了性能提高的原因，并提出了PPDI与H ₂ O / HF的反应机理。证明PPDI可以清除H _2。电解质中的O / HF可以在两个电极上形成稳定且高度导电的薄膜，从而稳定NCM622并改善电池性能。除了功能化的电解质，这项工作还可以激发新的想法，为基于NCM622的高性能LIB开发功能化的电解质。