Role of Host-Guest Interaction in Understanding Polymerisation in Metal-Organic Frameworks

• Published in: Frontiers in chemistry Vol. 9; p. 716294
• Main Authors: Wonanke, A.D. Dinga, Bennett, Poppy, Caldwell, Lewis, Addicoat, Matthew A.
• Format: Journal Article
• Language: English
• Published: Frontiers Media S.A 21.07.2021
• Subjects: Chemistry; DFTB; host-guest interaction; metal-organic frameworks (MOFs); molecular dynamics; polymerisation

Metal-organic frameworks, MOFs, offer an effective template for polymerisation of polymers with precisely controlled structures within the sub-nanometre scales. However, synthetic difficulties such as monomer infiltration, detailed understanding of polymerisation mechanisms within the MOF nanochanne...