Dongwon Shin

Studies of LaSn3 as a Negative Electrode for Lithium-Ion Batteries

The intermetallic compound LaSn 3 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 LaSn 3 ; calculated energetics suggest that during the reaction La 3 Sn 5 and lithiated tin are formed and that the electrode operates by delithiation and relithiation of the Sn particles within an inert lanthanum-tin matrix. LaSn 3 electrodes provide a reversible specific capacity of 200-250 mAh/g, whereas In-substituted electrodes that form a solid solution with LaSn 3 , such as LaSn 2.7 In 0.3 , yield a slightly lower capacity.

Studies of LaSn{sub 3} as a negative electrode for lithium ion batteries.

The intermetallic compound LaSn 3 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 LaSn 3 ; calculated energetics suggest that during the reaction La 3 Sn 5 and lithiated tin are formed and that the electrode operates by delithiation and relithiation of the Sn particles within an inert lanthanum-tin matrix. LaSn 3 electrodes provide a reversible specific capacity of 200-250 mAh/g, whereas In-substituted electrodes that form a solid solution with LaSn 3 , such as LaSn 2.7 In 0.3 , yield a slightly lower capacity.