Work

Metal-Dependent Lithiation Behaviors in Cobalt and Zinc Metal–Organic Frameworks as Lithium-Ion Battery Anodes

Year: 2026

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide Metal–organic frameworks (MOFs) have emerged as structurally designable materials for lithium-ion batteries (LIBs) due to their tunable coordination architecture and functionality. Herein, we report a couple of isostructural MOFs of divalent cobalt ( 1 ) and zinc ( 2 ), [M II 2 (bdc) 2 (DABCO)] n, [bdcH 2 = terephthalic acid, DABCO = 1,4-diazabicyclo[2.2.2]octane], and evaluate their lithium storage performance. Electrochemical properties and performance show that Co-MOF 1 has higher efficiency than the Zn congener, with an excellent specific capacity of 750 mAh g –1 after 10 cycles and last at 322 mAh g –1 after 200 cycles, which is a high electrochemical performance in specific capacity and rate cycle performance over the previous MOF-based materials. The ligand substitution at the metal centers of the MOFs triggered the single-crystal to single-crystal transformation toward corresponding [M II (H 2 O)(bdc)(DABCO)] n ( 1a and 2a ) MOFs, which were investigated. First-principles computations revealed that the identity of the metal center critically governs the lithiation behavior of these MOFs.

Source: Inorganic Chemistry

DOI: 10.1021/acs.inorgchem.5c06095