Impact of Defects and Particle Size on the Reversible Structural Transformation between Metal–Organic Frameworks

Reversible structural transformations in metal–organic frameworks (MOFs) driven by bond-switching mechanisms offer a promising approach for dynamically controlling material properties, enhancing advanced functionality, and designing smart materials. However, most reported structural transformations have been serendipitous, posing significant challenges for their deliberate design and practical application. This study focuses on the structural interconversion between MIL-53 and MIL-68, two aluminum-based MOF structural isomers, investigating the effects of framework defects and particle size on their transformation behaviors. The findings of this study provide essential insights into the mechanisms underlying MOF structural transformations and lay the groundwork for developing responsive materials with precisely controlled structural dynamics.