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Observation of reduced thermal conductivity in a metal-organic framework due to the presence of adsorbates

Babaei, H.; DeCoster, M. E.; Jeong, M.; Hassan, Z. M. 1; Islamoglu, T.; Baumgart, H.; McGaughey, A. J. H.; Redel, E. 1; Farha, O. K.; Hopkins, P. E.; Malen, J. A.; Wilmer, C. E.
1 Institut für Funktionelle Grenzflächen (IFG), Karlsruher Institut für Technologie (KIT)


Whether the presence of adsorbates increases or decreases thermal conductivity in metal-organic frameworks (MOFs) has been an open question. Here we report observations of thermal transport in the metal-organic framework HKUST-1 in the presence of various liquid adsorbates: water, methanol, and ethanol. Experimental thermoreflectance measurements were performed on single crystals and thin films, and theoretical predictions were made using molecular dynamics simulations. We find that the thermal conductivity of HKUST-1 decreases by 40 – 80% depending on the adsorbate, a result that cannot be explained by effective medium approximations. Our findings demonstrate that adsorbates introduce additional phonon scattering in HKUST-1, which particularly shortens the lifetimes of low-frequency phonon modes. As a result, the system thermal conductivity is lowered to a greater extent than the increase expected by the creation of additional heat transfer channels. Finally, we show that thermal diffusivity is even more greatly reduced than thermal conductivity by adsorption.

Verlagsausgabe §
DOI: 10.5445/IR/1000123386
Veröffentlicht am 07.09.2020
DOI: 10.1038/s41467-020-17822-0
Zitationen: 98
Web of Science
Zitationen: 96
Zitationen: 103
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Funktionelle Grenzflächen (IFG)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2020
Sprache Englisch
Identifikator ISSN: 2041-1723
KITopen-ID: 1000123386
HGF-Programm 47.02.06 (POF III, LK 01) Zellpopul.auf Biofunk.Oberflächen IFG
Erschienen in Nature Communications
Verlag Nature Research
Band 11
Seiten Art.-Nr.: 4010
Vorab online veröffentlicht am 11.08.2020
Nachgewiesen in Dimensions
Web of Science
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