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Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks

  • J. Wieme
  • , K. Lejaeghere
  • , G. Kresse
  • , V. Van Speybroeck (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number4899
Number of pages10
JournalNature Communications
Volume9
Issue number1
DOIs
Publication statusPublished - 21 Nov 2018

Funding

This work is supported by the Fund for Scientific Research Flanders (FWO). V.V.S. acknowledges funding from the European Union's Horizon 2020 research and innovation program (consolidator ERC grant agreement No. 647755 - DYNPOR (2015-2020)). The work is furthermore supported by the Research Board of Ghent University (BOF) and BELSPO in the frame of IAP/7/05. The computational resources and services used in this work were provided by VSC (Flemish Supercomputer Center), funded by Ghent University, FWO and the Flemish Government department EWI. We also want to acknowledge L. Vanduyfhuys, S.M.J. Rogge, S. De Waele, M. Marsman, J. Sun and T. Bucko for their valuable input and discussions.

Austrian Fields of Science 2012

  • 103018 Materials physics

Keywords

  • EXPERIMENTAL-MODELING EXPLORATION
  • MOLECULAR-DYNAMICS SIMULATIONS
  • INDUCED STRUCTURAL TRANSITIONS
  • RANDOM-PHASE-APPROXIMATION
  • SHAPE-MEMORY NANOPORES
  • BREATHING TRANSITIONS
  • COORDINATION POLYMER
  • MIL-53(AL)
  • DENSITY
  • ADSORPTION

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