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

Hasan BabaeiDepartment of Chemistry, University of California, Berkeley, CA, USAMallory E. DeCosterDepartment of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, VA, USAMinyoung JeongDepartment of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USAZeinab Mohamed HassanInstitute of Functional Interfaces, Karlsruhe Institute of Technology, Karlsruhe, GermanyTimur İslamoğluDepartment of Chemistry, Northwestern University, Evanston, IL, USAHelmut BaumgartDepartment of Electrical and Computer Engineering, Old Dominion University, Norfolk, VA, USAAlan J. H. McGaugheyDepartment of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USAEngelbert RedelInstitute of Functional Interfaces, Karlsruhe Institute of Technology, Karlsruhe, GermanyOmar K. FarhaDepartment of Chemistry, Northwestern University, Evanston, IL, USAPatrick E. HopkinsDepartment of Materials Science and Engineering, University of Virginia, Charlottesville, VA, USAJonathan A. MalenDepartment of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USAChristopher E. WilmerDepartment of Chemical & Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USA. [email protected]
2020en
ABI

Аннотация

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.

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