Encapsulating functional guests in metal-organic frameworks: from strategies to performances

Area of Science:

• Materials Science
• Chemistry
• Nanotechnology

Background:

• Host-guest chemistry is crucial for developing advanced materials.
• Metal-organic frameworks (MOFs) offer tunable porous structures for molecular encapsulation.
• Encapsulation within MOFs modifies guest molecule properties through confinement.

Purpose of the Study:

• To provide a comprehensive review of Guest@MOF systems.
• To summarize synthesis methods, design guidelines, and characterization techniques.
• To highlight property enhancements in MOF-guest composites.

Main Methods:

• Review of traditional and data-driven synthesis strategies for Guest@MOF systems.
• Summary of local-scale characterization techniques for guest localization and host-guest interactions.
• Analysis of property changes in MOF composites based on encapsulation.

Main Results:

• Guest molecules (e.g., fluorophores, perovskites, QDs) exhibit altered photophysical and photochemical properties within MOFs.
• MOF caging effect leads to significant performance gains in encapsulated guests.
• Data-driven design approaches offer new perspectives for Guest@MOF synthesis.

Conclusions:

• Guest@MOF systems represent a promising platform for materials innovation.
• Understanding host-guest interactions is key to optimizing composite properties.
• This review provides a framework for future research in MOF-based host-guest chemistry.