Enhanced Cycle Life and Rate Capability of Single-Crystal, Ni-Rich LiNi_0.9Co_0.05Mn_0.05O₂ Enabled by 1,2,4-1H-Triazole Additive

Ternary LiNixCoyMnzO2 oxides with extremely high nickel (Ni) contents (x ≥ 0.9) are promising cathode candidates developed for higher-energy-density lithium-ion batteries, with an aim to relieve mileage anxiety. However, the structural and interfacial instability still restrict their application in electric vehicles. In this work, a novel electrolyte additive 1,2,4-1H-Triazole (HTZ) is introduced to improve the interfacial stability of LiNi0.9Co0.05Mn0.05O2 (NCM90), promoting cycle life both at 30 °C and a harsh condition of 60 °C, as well as rate capability. The NCM90||Li cells with 0.3% HTZ-added electrolyte retain 86.6% of their original capacity after 150 cycles at 1C and 30 °C, well exceeding 74.8% obtained with the baseline electrolyte. It is revealed that the additive HTZ could inhibit the thermal decomposition of LiPF6 salt and suppress the generation of HF acidic species. More importantly, additive HTZ is preferentially oxidized to construct a compact and dense cathode electrolyte interphase (CEI) layer, which is beneficial for stabilizing the electrode/electrolyte interface and suppressing unwanted side reactions.