Studies of LaSn[sub 3] as a Negative Electrode for Lithium-Ion Batteries

The intermetallic compound has been explored as a possible negative electrode for lithium-ion batteries. A combination of experiment and density functional theory calculations provides evidence that the structure is intolerant to lithium insertion and that the electrochemical reaction occurs via a displacement mechanism. Experiment shows that approximately six Li react initially with ; calculated energetics suggest that during the reaction and lithiated tin are formed and that the electrode operates by delithiation and relithiation of the Sn particles within an inert lanthanum–tin matrix. electrodes provide a reversible specific capacity of , whereas In-substituted electrodes that form a solid solution with , such as , yield a slightly lower capacity.