Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals

Soft porous crystals hold big promise as functional nanoporous materials due to their stimuli responsive flexibility. Here, molecular dynamics simulations reveal a new type of spatial disorder in mesoscale crystals that helps to understand the size-dependency of their phase transition behavior.

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Detalles Bibliográficos
Autores principales: Sven M. J. Rogge, Michel Waroquier, Veronique Van Speybroeck
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/433ace48cce5477bbe6a73ffb22df8f4
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Sumario:Soft porous crystals hold big promise as functional nanoporous materials due to their stimuli responsive flexibility. Here, molecular dynamics simulations reveal a new type of spatial disorder in mesoscale crystals that helps to understand the size-dependency of their phase transition behavior.