Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks

oleh: Sander Borgmans, Sven M. J. Rogge, Juul S. De Vos, Pascal Van Der Voort, Veronique Van Speybroeck

Format: Article
Diterbitkan: Nature Portfolio 2023-01-01

Deskripsi

While stimuli-responsive metal-organic frameworks have been widely investigated, much less is understood about structural flexibility in their covalent counterparts. Here, 3D diamondoid covalent-organic frameworks are studied via dynamic free energy simulations, revealing key insight into how the nature of the building blocks and the degree of interpenetration contribute to framework flexibility.