Cargando…

Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al)

Soft porous crystals have the ability to undergo large structural transformations upon exposure to external stimuli while maintaining their long-range structural order, and the size of the crystal plays an important role in this flexible behavior. Computational modeling has the potential to unravel...

Descripción completa

Detalles Bibliográficos
Autores principales: Vandenhaute, Sander, Rogge , Sven M. J., Van Speybroeck, Veronique
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8429608/
https://www.ncbi.nlm.nih.gov/pubmed/34513797
http://dx.doi.org/10.3389/fchem.2021.718920