One-Dimensional Transition-Metal-Based Metal–Organic Assembly Engineered for Enhanced Lithium Storage

Metal–organic assemblies (MOAs), with multiple active sites and well-defined lithium transport pathways, are considered ideal electrode materials for lithium-ion batteries. However, their further development is impeded by poor structural stability and limited electronic conductivity. In this study, two isostructural one-dimensional MOAs, namely, [M(pyzdc)(H₂O)₂]_n (M-1D, M = Co and Ni; H₂pyzdc = pyrazine-2,3-dicarboxylic acid) were synthesized for lithium storage. The chain structure formed by multiple hydrogen bond interactions constitutes a three-dimensional supramolecular architecture. This unique hydrogen bond network not only enhances structural stability but also facilitates efficient electron transfer. When tested as anode materials, Co-1D and Ni-1D exhibited reversible capacities of 1003.3 and 841.3 mAh g^–1 at 100 mA g^–1 after 100 cycles, respectively. Theoretical calculations and kinetic analyses have elucidated the impact of electronic configuration on lithium-ion adsorption and diffusion in these MOAs, highlighting the intricate relationship between the electronic structure of MOAs and lithium storage behavior.