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

Author(s)
J. Wieme, K. Lejaeghere, G. Kresse, V. Van Speybroeck
Organisation(s)
Computational Materials Physics
Journal
Nature Communications
Volume
9
No. of pages
10
ISSN
2041-1723
DOI
https://doi.org/10.1038/s41467-018-07298-4
Publication date
11-2018
Publication status
Published
Peer reviewed
Yes
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
Portal url
https://ucris.univie.ac.at/portal/en/publications/tuning-the-balance-between-dispersion-and-entropy-to-design-temperatureresponsive-flexible-metalorganic-frameworks(ead05296-f0b5-42a6-88fb-67d587435f76).html