  The exceptional electrochemical performance of lithium-ion batteries has
spurred considerable interest in advanced battery technologies, particularly
those utilizing ternary nickel-cobalt-manganese (NCM) cathode materials, which
are renowned for their robust electrochemical performance and structural
stability. Building upon this research, investigators have explored doping
additional elements into NCM cathode materials to further enhance their
electrochemical performance and structural integrity. However, the multitude of
doping strategies available for NCM battery systems presents a challenge in
determining the most effective approach. In this study, we elucidate the
potential of ternary NCM systems as cathode materials for lithium-ion
batteries. We compile a comprehensive database of lithium-ion batteries
employing NCM systems from various sources of prior research and develop a
corresponding data-driven model utilizing graph neural networks to predict
optimal doping strategies. Our aim is to provide insights into the NCM-based
battery systems for both fundamental understanding and practical applications.
