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

Hasan Babaei, Mallory E. DeCoster, Minyoung Jeong, Zeinab M. Hassan, Timur Islamoglu, Helmut Baumgart, Alan J. H. McGaughey, Engelbert Redel, Omar K. Farha, Patrick E. Hopkins, Jonathan A. Malen and Christopher E. Wilmer ()
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Hasan Babaei: University of California
Mallory E. DeCoster: University of Virginia
Minyoung Jeong: Carnegie Mellon University
Zeinab M. Hassan: Karlsruhe Institute of Technology
Timur Islamoglu: Northwestern University
Helmut Baumgart: Old Dominion University
Alan J. H. McGaughey: Carnegie Mellon University
Engelbert Redel: Karlsruhe Institute of Technology
Omar K. Farha: Northwestern University
Patrick E. Hopkins: University of Virginia
Jonathan A. Malen: Carnegie Mellon University
Christopher E. Wilmer: University of Pittsburgh

Nature Communications, 2020, vol. 11, issue 1, 1-8

Abstract: Abstract 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.

Date: 2020
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-17822-0

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DOI: 10.1038/s41467-020-17822-0

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