Insights into the Capacity and Rate Performance of Transition‐Metal Coordination Compounds for Reversible Lithium Storage.

Coordination compounds are well‐known compounds that are being used as new materials for lithium storage because of their unique advantages, that is, designable structures, abundant active sites, and facile as well as mild synthetic routes. However, the electrode stability, low rate performance, and cycle life of coordination compounds are currently the main issues preventing their application as electrode materials, and the lithium‐storage mechanism in coordination networks is not well understood. Herein, isostructural one‐dimensional coordination compounds were synthesized to study their lithium‐storage performance. Co‐HIPA and Ni‐HIPA showed superior electrolyte stability than other M‐HIPAs, and Co‐HIPA displayed a superior reversible capacity and cycle stability, excellent rate performance, and clear voltage platform. DFT calculations and kinetic analysis revealed the influence of the metal center with different electronic structures on the lithium‐storage mechanism. [ABSTRACT FROM AUTHOR]