Metal-Organic Framework (MOF) Morphology Control by Design

Exerting morphological control over metal-organic frameworks (MOFs) is critical for determining their catalytic performance and to optimize their packing behavior in areas from separations to fuel gas storage. A mechanism-based approach to tailor the morphology of MOFs is introduced and experimentally demonstrated for five cubic Zn4O-based MOFs. This methodology provides three key features: 1) computational screening for selection of appropriate additives to change crystal morphology based on knowledge of the crystal structure alone; 2) use of additive to metal cluster geometric relationships to achieve morphologies expressing desired crystallographic facets; 3) potential for suppression of interpenetration for certain phases.

Automated summary

This study introduces a mechanism-based approach to tailor the morphology of metal-organic frameworks (MOFs), demonstrating the ability to computationally screen appropriate additives, utilize geometric relationships between additives and metal clusters, and potentially suppress interpenetration for certain phases.