Nature Communications (Oct 2019)

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

  • Sven M. J. Rogge,
  • Michel Waroquier,
  • Veronique Van Speybroeck

DOI
https://doi.org/10.1038/s41467-019-12754-w
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 10

Abstract

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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.