Anion-Mediated Regulation of Open Metal Sites in Metal-Organic Framework Materials or High-Performance Solid-State Electrolytes

Abstract

In this study, a crystalline Cu-MOF was successfully synthesized, and the coordination behavior between its open metal sites (OMSs) and various anions was systematically investigated. It was determined that the NO₃⁻ anion exhibits the most effective coordination with the Cu²⁺ sites. This optimal interaction endows the resulting LiNO₃@Cu-MOF with superior electrochemical properties: an ionic conductivity of 1.19 × 10⁻³ S cm⁻¹, a lithium-ion transference number of 0.69, and stable lithium plating/stripping for 1600 hours at 0.2 mA cm⁻². This work elucidates the profound role of OMSs in regulating anion coordination and provides a novel design strategy for high-performance, MOF-based solid-state electrolytes.