Reversible Thermal Conductivity Switching Using Flexible Metal–Organic Frameworks

Babaei, Hasan; Meihaus, Katie R.; Long, Jeffrey R.

doi:10.1021/acs.chemmater.3c00496

Title: Reversible Thermal Conductivity Switching Using Flexible Metal–Organic Frameworks

Journal Article · Wed Aug 02 00:00:00 EDT 2023 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.3c00496· OSTI ID:1993516

^[1]; Meihaus, Katie R. ^[1];

^[2]

Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, United States
Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, United States, Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

The ability to control thermal transport is critical for the design of thermal rectifiers, logic gates, and transistors, although it remains a challenge to design materials that exhibit large changes in thermal conductivity with switching ratios suitable for practical applications. Here, we propose the use of flexible metal–organic frameworks, which can undergo significant structural changes in response to various stimuli, to achieve tunable switchable thermal conductivity. In particular, we use molecular dynamics simulations to show that the thermal conductivity of the flexible framework Fe(bdp) (bdp^2– = 1,4-benzenedipyrazolate) becomes highly anisotropic upon transitioning from the expanded to the collapsed phase, with the conductivity decreasing by nearly an order of magnitude along the direction of compression. Our results add to a small but growing number of studies investigating metal–organic frameworks for thermal transport.

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Research Organization:: Univ. of California, Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: SC0019992; CBET-1804011; OAC-1931436

OSTI ID:: 1993516

Alternate ID(s):: OSTI ID: 1996346

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Vol. 35 Journal Issue: 16; ISSN 0897-4756

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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