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 · 01 August 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

Not Available

View Journal Article

Cite

Export

Save

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

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

Grant/Contract Number:: SC0019992

OSTI ID:: 1993516

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

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (62)

Identifying the Bottleneck for Heat Transport in Metal–Organic Frameworks Wieser, Sandro; Kamencek, Tomas; Dürholt, Johannes P. Advanced Theory and Simulations, Vol. 4, Issue 1 https://doi.org/10.1002/adts.202000211	journal	December 2020
Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO ₂ Adsorption Salles, Fabrice; Ghoufi, Aziz; Maurin, Guillaume Angewandte Chemie International Edition, Vol. 47, Issue 44 https://doi.org/10.1002/anie.200803067	journal	October 2008
Breathing Transitions in MIL-53(Al) Metal-Organic Framework Upon Xenon Adsorption Boutin, Anne; Springuel-Huet, Marie-Anne; Nossov, Andrei Angewandte Chemie International Edition, Vol. 48, Issue 44 https://doi.org/10.1002/anie.200903153	journal	September 2009
A Rationale for the Large Breathing of the Porous Aluminum Terephthalate (MIL-53) Upon Hydration Loiseau, Thierry; Serre, Christian; Huguenard, Clarisse Chemistry - A European Journal, Vol. 10, Issue 6 https://doi.org/10.1002/chem.200305413	journal	March 2004
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Relationship between thermal conductivity and framework architecture in MOF-5 Han, Luping; Budge, Makenzie; Alex Greaney, P. Computational Materials Science, Vol. 94 https://doi.org/10.1016/j.commatsci.2014.06.008	journal	November 2014
Heat switches for ADRs DiPirro, M. J.; Shirron, P. J. Cryogenics, Vol. 62 https://doi.org/10.1016/j.cryogenics.2014.03.017	journal	July 2014
A Novel Thermoelectric Generation System with Thermal Switch Gou, Xiaolong; Ping, Huifeng; Ou, Qiang Energy Procedia, Vol. 61 https://doi.org/10.1016/j.egypro.2014.12.198	journal	January 2014
Thermal conductivity of a metal-organic framework (MOF-5): Part II. Measurement Huang, B. L.; Ni, Z.; Millward, A. International Journal of Heat and Mass Transfer, Vol. 50, Issue 3-4, p. 405-411 https://doi.org/10.1016/j.ijheatmasstransfer.2006.10.001	journal	February 2007
Thermal conductivity of metal-organic framework 5 (MOF-5): Part I. Molecular dynamics simulations Huang, B. L.; McGaughey, A. J. H.; Kaviany, M. International Journal of Heat and Mass Transfer, Vol. 50, Issue 3-4, p. 393-404 https://doi.org/10.1016/j.ijheatmasstransfer.2006.10.002	journal	February 2007
MOF-5 composites exhibiting improved thermal conductivity Liu, D.; Purewal, J. J.; Yang, J. International Journal of Hydrogen Energy, Vol. 37, Issue 7 https://doi.org/10.1016/j.ijhydene.2011.12.129	journal	April 2012
A Microporous and Naturally Nanostructured Thermoelectric Metal-Organic Framework with Ultralow Thermal Conductivity Sun, Lei; Liao, Bolin; Sheberla, Dennis Joule, Vol. 1, Issue 1 https://doi.org/10.1016/j.joule.2017.07.018	journal	September 2017
Thermophysical properties of MOF-5 powders Ming, Yang; Purewal, Justin; Liu, Dong’an Microporous and Mesoporous Materials, Vol. 185 https://doi.org/10.1016/j.micromeso.2013.11.015	journal	February 2014
Thermal Transport in Interpenetrated Metal–Organic Frameworks Sezginel, Kutay B.; Asinger, Patrick A.; Babaei, Hasan Chemistry of Materials, Vol. 30, Issue 7 https://doi.org/10.1021/acs.chemmater.7b05015	journal	January 2018
Heat Flux for Many-Body Interactions: Corrections to LAMMPS Boone, Paul; Babaei, Hasan; Wilmer, Christopher E. Journal of Chemical Theory and Computation, Vol. 15, Issue 10 https://doi.org/10.1021/acs.jctc.9b00252	journal	August 2019
Effect of Flexibility on Thermal Transport in Breathing Porous Crystals Sezginel, Kutay B.; Lee, Sangsuk; Babaei, Hasan The Journal of Physical Chemistry C, Vol. 124, Issue 34 https://doi.org/10.1021/acs.jpcc.0c04353	journal	July 2020
A Flexible Metal–Organic Framework: Guest Molecules Controlled Dynamic Gas Adsorption Yue, Yanfeng; Rabone, Jeremy A.; Liu, Hongjun The Journal of Physical Chemistry C, Vol. 119, Issue 17 https://doi.org/10.1021/acs.jpcc.5b02359	journal	April 2015
Anisotropic Lattice Thermal Conductivity and Suppressed Acoustic Phonons in MOF-74 from First Principles Wang, Xinjiang; Guo, Ruiqiang; Xu, Dongyan The Journal of Physical Chemistry C, Vol. 119, Issue 46 https://doi.org/10.1021/acs.jpcc.5b08675	journal	November 2015
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew The Journal of Physical Chemistry Letters, Vol. 8, Issue 2 https://doi.org/10.1021/acs.jpclett.6b02532	journal	January 2017
Enhanced Thermal Conductivity in a Diamine-Appended Metal–Organic Framework as a Result of Cooperative CO₂ Adsorption Babaei, Hasan; Lee, Jung-Hoon; Dods, Matthew N. ACS Applied Materials & Interfaces, Vol. 12, Issue 40 https://doi.org/10.1021/acsami.0c10233	journal	September 2020
Influence of Missing Linker Defects on the Thermal Conductivity of Metal–Organic Framework HKUST-1 Islamov, Meiirbek; Babaei, Hasan; Wilmer, Christopher E. ACS Applied Materials & Interfaces, Vol. 12, Issue 50 https://doi.org/10.1021/acsami.0c16127	journal	December 2020
Thermal Conductivity of ZIF-8 Thin-Film under Ambient Gas Pressure Cui, Boya; Audu, Cornelius O.; Liao, Yijun ACS Applied Materials & Interfaces, Vol. 9, Issue 34 https://doi.org/10.1021/acsami.7b06662	journal	August 2017
Transient Mass and Thermal Transport during Methane Adsorption into the Metal–Organic Framework HKUST-1 Babaei, Hasan; McGaughey, Alan J. H.; Wilmer, Christopher E. ACS Applied Materials & Interfaces, Vol. 10, Issue 3 https://doi.org/10.1021/acsami.7b13605	journal	January 2018
Thermally Functional Liquid Crystal Networks by Magnetic Field Driven Molecular Orientation Shin, Jungwoo; Kang, Minjee; Tsai, Tsunghan ACS Macro Letters, Vol. 5, Issue 8 https://doi.org/10.1021/acsmacrolett.6b00475	journal	July 2016
Metal–Organic Framework Materials as Chemical Sensors Kreno, Lauren E.; Leong, Kirsty; Farha, Omar K. Chemical Reviews, Vol. 112, Issue 2, p. 1105-1125 https://doi.org/10.1021/cr200324t	journal	September 2011
Carbon Dioxide Capture in Metal–Organic Frameworks Sumida, Kenji; Rogow, David L.; Mason, Jarad A. Chemical Reviews, Vol. 112, Issue 2, p. 724-781 https://doi.org/10.1021/cr2003272	journal	September 2011
DREIDING: a generic force field for molecular simulations Mayo, Stephen L.; Olafson, Barry D.; Goddard, William A. The Journal of Physical Chemistry, Vol. 94, Issue 26, p. 8897-8909 https://doi.org/10.1021/j100389a010	journal	December 1990
Broadly Hysteretic H ₂ Adsorption in the Microporous Metal−Organic Framework Co(1,4-benzenedipyrazolate) Choi, Hye Jin; Dincă, Mircea; Long, Jeffrey R. Journal of the American Chemical Society, Vol. 130, Issue 25 https://doi.org/10.1021/ja8024092	journal	June 2008
Reversible Structural Transition in MIL-53 with Large Temperature Hysteresis Liu, Yun; Her, Jae-Hyuk; Dailly, Anne Journal of the American Chemical Society, Vol. 130, Issue 35 https://doi.org/10.1021/ja803669w	journal	September 2008
Hybridization from Guest–Host Interactions Reduces the Thermal Conductivity of Metal–Organic Frameworks DeCoster, Mallory E.; Babaei, Hasan; Jung, Sangeun S. Journal of the American Chemical Society, Vol. 144, Issue 8 https://doi.org/10.1021/jacs.1c12545	journal	February 2022
Tuning the Adsorption-Induced Phase Change in the Flexible Metal–Organic Framework Co(bdp) Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia Journal of the American Chemical Society, Vol. 138, Issue 45 https://doi.org/10.1021/jacs.6b09155	journal	November 2016
Near-Perfect CO 2 /CH 4 Selectivity Achieved through Reversible Guest Templating in the Flexible Metal–Organic Framework Co(bdp) Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia Journal of the American Chemical Society, Vol. 140, Issue 32 https://doi.org/10.1021/jacs.8b06062	journal	July 2018
Thermal Conductivity of Zeolitic Imidazolate Framework-8: A Molecular Simulation Study Zhang, Xiaoliang; Jiang, Jianwen The Journal of Physical Chemistry C, Vol. 117, Issue 36 https://doi.org/10.1021/jp405156y	journal	August 2013
Stress-Based Model for the Breathing of Metal−Organic Frameworks Neimark, Alexander V.; Coudert, François-Xavier; Boutin, Anne The Journal of Physical Chemistry Letters, Vol. 1, Issue 1 https://doi.org/10.1021/jz9003087	journal	November 2009
Methane storage in flexible metal–organic frameworks with intrinsic thermal management Mason, Jarad A.; Oktawiec, Julia; Taylor, Mercedes K. Nature, Vol. 527, Issue 7578 https://doi.org/10.1038/nature15732	journal	October 2015
Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals Vanduyfhuys, L.; Rogge, S. M. J.; Wieme, J. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-017-02666-y	journal	January 2018
Observation of reduced thermal conductivity in a metal-organic framework due to the presence of adsorbates Babaei, Hasan; DeCoster, Mallory E.; Jeong, Minyoung Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-17822-0	journal	August 2020
High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity Islamov, Meiirbek; Babaei, Hasan; Anderson, Ryther npj Computational Materials, Vol. 9, Issue 1 https://doi.org/10.1038/s41524-022-00961-x	journal	January 2023
Tunable thermal transport and reversible thermal conductivity switching in topologically networked bio-inspired materials Tomko, John A.; Pena-Francesch, Abdon; Jung, Huihun Nature Nanotechnology, Vol. 13, Issue 10 https://doi.org/10.1038/s41565-018-0227-7	journal	August 2018
Nanoscale radiative thermal switching via multi-body effects Thompson, Dakotah; Zhu, Linxiao; Meyhofer, Edgar Nature Nanotechnology, Vol. 15, Issue 2 https://doi.org/10.1038/s41565-019-0595-7	journal	December 2019
Metal–organic frameworks—prospective industrial applications Mueller, U.; Schubert, M.; Teich, F. J. Mater. Chem., Vol. 16, Issue 7 https://doi.org/10.1039/B511962F	journal	January 2006
Metal–organic framework materials as catalysts Lee, JeongYong; Farha, Omar K.; Roberts, John Chemical Society Reviews, Vol. 38, Issue 5, p. 1450-1459 https://doi.org/10.1039/B807080F	journal	January 2009
Large breathing of the MOF MIL-47(VIV) under mechanical pressure: a joint experimental–modelling exploration Yot, Pascal G.; Ma, Qintian; Haines, Julien Chemical Science, Vol. 3, Issue 4 https://doi.org/10.1039/C2SC00745B	journal	January 2012
Flexible metal–organic frameworks Schneemann, A.; Bon, V.; Schwedler, I. Chem. Soc. Rev., Vol. 43, Issue 16 https://doi.org/10.1039/C4CS00101J	journal	January 2014
Effect of pore size and shape on the thermal conductivity of metal-organic frameworks Babaei, Hasan; McGaughey, Alan J. H.; Wilmer, Christopher E. Chemical Science, Vol. 8, Issue 1 https://doi.org/10.1039/C6SC03704F	journal	January 2017
Thermal conductivity of a perovskite-type metal–organic framework crystal Gunatilleke, Wilarachchige D. C. B.; Wei, Kaya; Niu, Zheng Dalton Transactions, Vol. 46, Issue 39 https://doi.org/10.1039/C7DT02927F	journal	January 2017
Understanding the origins of metal–organic framework/polymer compatibility Semino, R.; Moreton, J. C.; Ramsahye, N. A. Chemical Science, Vol. 9, Issue 2 https://doi.org/10.1039/C7SC04152G	journal	January 2018
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal–organic framework MIL-53(Al) for water-adsorption applications using molecular simulations Lamaire, Aran; Wieme, Jelle; Hoffman, Alexander E. J. Faraday Discussions, Vol. 225 https://doi.org/10.1039/D0FD00025F	journal	January 2021
Correlated missing linker defects increase thermal conductivity in metal–organic framework UiO-66 Islamov, Meiirbek; Boone, Paul; Babaei, Hasan Chemical Science, Vol. 14, Issue 24 https://doi.org/10.1039/D2SC06120A	journal	January 2023
Thermal conductivity and dynamic heat capacity across the metal-insulator transition in thin film VO2 Oh, Dong-Wook; Ko, Changhyun; Ramanathan, Shriram Applied Physics Letters, Vol. 96, Issue 15 https://doi.org/10.1063/1.3394016	journal	April 2010
A solid-state refrigerator based on the electrocaloric effect Jia, Yanbing; Sungtaek Ju, Y. Applied Physics Letters, Vol. 100, Issue 24 https://doi.org/10.1063/1.4729038	journal	June 2012
Phonon and electron transport through Ge ₂ Sb ₂ Te ₅ films and interfaces bounded by metals Lee, Jaeho; Bozorg-Grayeli, Elah; Kim, SangBum Applied Physics Letters, Vol. 102, Issue 19 https://doi.org/10.1063/1.4807141	journal	May 2013
Thermal diodes, regulators, and switches: Physical mechanisms and potential applications Wehmeyer, Geoff; Yabuki, Tomohide; Monachon, Christian Applied Physics Reviews, Vol. 4, Issue 4 https://doi.org/10.1063/1.5001072	journal	December 2017
Anisotropy-driven thermal conductivity switching and thermal hysteresis in a ferroelectric Seijas-Bellido, Juan Antonio; Íñiguez, Jorge; Rurali, Riccardo Applied Physics Letters, Vol. 115, Issue 19 https://doi.org/10.1063/1.5127825	journal	November 2019
Light-triggered thermal conductivity switching in azobenzene polymers Shin, Jungwoo; Sung, Jaeuk; Kang, Minjee Proceedings of the National Academy of Sciences, Vol. 116, Issue 13 https://doi.org/10.1073/pnas.1817082116	journal	March 2019
Comparison of atomic-level simulation methods for computing thermal conductivity Schelling, Patrick K.; Phillpot, Simon R.; Keblinski, Pawel Physical Review B, Vol. 65, Issue 14 https://doi.org/10.1103/PhysRevB.65.144306	journal	April 2002
Mechanisms of Heat Transfer in Porous Crystals Containing Adsorbed Gases: Applications to Metal-Organic Frameworks Babaei, Hasan; Wilmer, Christopher E. Physical Review Letters, Vol. 116, Issue 2 https://doi.org/10.1103/PhysRevLett.116.025902	journal	January 2016
High-contrast and reversible polymer thermal regulator by structural phase transition Shrestha, Ramesh; Luan, Yuxuan; Shin, Sunmi Science Advances, Vol. 5, Issue 12 https://doi.org/10.1126/sciadv.aax3777	journal	December 2019
Role of Solvent-Host Interactions That Lead to Very Large Swelling of Hybrid Frameworks Serre, C.; Mellot-Draznieks, C.; Surble, S. Science, Vol. 315, Issue 5820 https://doi.org/10.1126/science.1137975	journal	March 2007
The Chemistry and Applications of Metal-Organic Frameworks Furukawa, H.; Cordova, K. E.; O'Keeffe, M. Science, Vol. 341, Issue 6149, p. 1230444-1230444 https://doi.org/10.1126/science.1230444	journal	August 2013
Anomalously low electronic thermal conductivity in metallic vanadium dioxide Lee, Sangwook; Hippalgaonkar, Kedar; Yang, Fan Science, Vol. 355, Issue 6323 https://doi.org/10.1126/science.aag0410	journal	January 2017
Temperature dependence of thermal conductivity of VO ₂ thin films across metal–insulator transition Kizuka, Hinako; Yagi, Takashi; Jia, Junjun Japanese Journal of Applied Physics, Vol. 54, Issue 5 https://doi.org/10.7567/JJAP.54.053201	journal	April 2015

Similar Records

Flexibility in Metal–Organic Frameworks: A fundamental understanding

Journal Article · 2018 · Coordination Chemistry Reviews · OSTI ID:1576843

Elsaidi, Sameh K.; Mohamed, Mona H.; Banerjee, Debasis; +1 more

Electrically Conductive Metal–Organic Frameworks

Journal Article · 2020 · Chemical Reviews · OSTI ID:1615048

Xie, Lilia S.; Skorupskii, Grigorii; Dincă, Mircea

Switching in Metal–Organic Frameworks

Journal Article · 2019 · Angewandte Chemie (International Edition) · OSTI ID:1801399

Bigdeli, Fahime; Lollar, Christina T.; Morsali, Ali; +1 more

Related Subjects

36 MATERIALS SCIENCE
Elements
Heat transfer
Materials
Metal organic frameworks
Thermal conductivity

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

Citation Formats

References (62)

Similar Records

Related Subjects