Cargando…

Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites

Flexible metal-organic frameworks (MOFs) can undergo structural transitions with significant pore volume changes upon guest adsorption or other external triggers while maintaining their porosity. In computational studies of this breathing behavior, molecular dynamics (MD) simulations within periodic...

Descripción completa

Detalles Bibliográficos
Autores principales: Schaper, Larissa, Schmid, Rochus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10613269/
https://www.ncbi.nlm.nih.gov/pubmed/37898644
http://dx.doi.org/10.1038/s42004-023-01025-x

Ejemplares similares