Modification of LiNi0.8Co0.1Mn0.1 cathode with AI-Screened LiPO3 to enhance interfacial stability and ionic dynamics

The application of LiNi0.8Co0.1Mn0.1 (NCM811) cathode is restricted with poor cycle stability and capacity fading. Artificial intelligence (AI) assisted high-throughput screening is performed to search for promising cathode coating materials. The screened LiPO3 is proposed, as it may have the potential of alleviating the phase transition of NCM811 cathode and enhancing the ionic diffusion. Hence, LiPO3 nanomaterial is adopted to enhance the cycle and rate performance of the NCM811 cathode. NCM811 cathode modified with LiPO3 exhibits lower interfacial impedance and charge transfer impedance in the in-situ EIS experiments. In the lithium metal-based batteries, the modified NCM811 cathode exhibits a specific capacity of 208.2 mAh g−1 at 0.2C/141.5 mAh g−1 at 5C. In addition, owing to the improvement in interfacial stability, NCM811 cathode keeps capacity retention of 80% after 150 cycles at 3C. After cycling at 3C rate, the TEM result confirms that LiPO3 modified NCM811 cathode suffers little structural change. Therefore, LiPO3 modified NCM811 cathode exhibits a wild prospect for commercialization.