Thermal conductivity of a perovskite-type metal–organic framework crystal

Gunatilleke, Wilarachchige D. C. B.; Wei, Kaya; Niu, Zheng; Wojtas, Łukasz; Nolas, George S.; Ma, Shengqian

doi:10.1039/c7dt02927f

Cited by 45 publications

(46 citation statements)

References 39 publications

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“…For the pristine HKUST-1 case (i.e., no adsorbates), measured thermal conductivities ranged between 0.44 and 0.73 W m −1 K −1 across all thin film samples, with the single crystals at the higher end of that range at 0.69 ± 0.05 W m −1 K −1 . These values are in the typical range of other room temperature MOF thermal conductivity measurements, such as IRMOF-1 (0.32 W m −1 K −1 ) 16 , ZIF-8 (0.32 W m −1 K −1 ) 21 , and perovskite-like MOF-1 (1.3 W m −1 K −1 ) 18 . Our single crystal value for HKUST-1 is higher than previously reported by Chae et al (0.26 W m −1 K −1 ) 22 .…”

Section: Resultssupporting

confidence: 68%

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

et al. 2020

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Whether the presence of adsorbates increases or decreases thermal conductivity in metalorganic 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 lowfrequency 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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Section: Resultssupporting

confidence: 68%

“…Relative to gas adsorption, however, little is understood about how to tune thermal conductivity in MOFs. Broadly, MOFs are thermal insulators, with thermal conductivities typically <2 W m −1 K −1 at room-temperature 16 – 18 . Moreover, it has been an open question as to how adsorbates influence MOF thermal conductivity.…”

Section: Introductionmentioning

confidence: 99%

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

et al. 2020

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“…Gunatilleke et al have reported a perovskite-type MOF with a thermal conductivity of 1.30 W m −1 K −1 at room temperature. [179] Doping MOFs with materials of high thermal conductivity is a promising and effective approach to enhance the thermal conductivity of MOFs. MOF-5 composites doped with 10 wt% of expanded natural graphite show a significant enhancement (≈460%) of the thermal conductivity.…”

Section: Thermal Conductivity Of Adsorbentsmentioning

confidence: 99%

“…The thermal conductivity of bulk crystals is even lower. Gunatilleke et al have reported a perovskite‐type MOF with a thermal conductivity of 1.30 W m −1 K −1 at room temperature . Doping MOFs with materials of high thermal conductivity is a promising and effective approach to enhance the thermal conductivity of MOFs.…”

Section: Mofs In Co2 Capture Practicementioning

confidence: 99%

CO₂ Capture in Metal–Organic Framework Adsorbents: An Engineering Perspective

Wang

Shah

et al. 2018

Advanced Sustainable Systems

253

185

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CO 2 emission has raised worldwide concerns because of its potential effects on climate change, species extinction, and plant nutrition deterioration. Metal-organic frameworks (MOFs) are one class of crystalline adsorbent materials that are believed to be of huge potential in CO 2 capture applications because of their advantages such as ultrahigh porosity, boundless chemical tunability, and surface functionality over traditional porous zeolites and activated carbon. In terms of chemistry, there are already many studies devoted to the synthesis of new functional MOFs. Some of the synthesized MOFs have been evaluated for CO 2 capture at laboratory-scale. Several reviews have been published on this topic, but mainly from a chemistry and materials point of view. In this review, the authors focus on the engineering perspective on this topic, with emphases on material evaluation, performance judgment, and process design to address the engineering issues of these materials to be used as adsorbents in industrial CO 2 capture. The current engineering evaluation approaches for MOFs are summarized, in a manner that could also be applied to other adsorbent materials.

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“…In spite of the fact that MOFs possess many unique properties, the thermal conductivity of MOFs is usually extremely low, which is typically smaller than 2 Wm −1 K −1 at room temperature, [19][20][21] due to their ultra-porous structure 22 and weak coordination bond. 23 The property of extralow thermal conductivity is considered as the bottleneck of MOFs in energyrelated applications such as adsorbent-based fuel tanks for methane or hydrogen-powered vehicles.…”

Section: Introductionmentioning

confidence: 99%

Abnormal Effect of Phase Transition on Thermal Transport in Soft Porous Crystals

Ying

Zhong²

2021

Preprint

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Soft porous crystals (SPCs) can undergo large-amplitude phase transitions under external stimulus such as mechanical pressure, gas adsorption, and temperature while retaining their structural integrity. During the gas adsorption process, the generated latent heat is needed to be effectively removed. Thus, understanding the effect of phase transition on the thermal transport in SPCs becomes extremely important for their applications in storage and separation applications. In this paper, taking isorecticular DUT series as an example, the evolution of the thermal transport in SPCs during the phase transition from the large pore (lp) phase to the narrow pore (np) phase is comprehensively investigated by molecular dynamics (MD) simulations together with the Green-Kubo method. After the phase transition, an abnormal thermal transport property is found in the np phase of DUT materials. We find that although the transformed np phase of DUT-48 has a density much larger than its parent phase, the thermal conductivity of its np phase is smaller than its lp phase. This result is in contrast to the previous finding that SPCs with larger density possess a larger thermal conductivity. However, as for other DUT crystals including DUT-47, DUT-49, DUT-50, and DUT-151, the np phase is found to have a higher thermal conductivity than their lp phase counterpart, which is in accordance with the previous finding. This complicated effect of phase transition on thermal transport in SPCs can be explained by the porosity-dominated competition mechanism between the increased volumetric heat capacity and the aggravated phonon scattering during the phase transition process. Overall, the finding extracted from the present study can greatly expand current knowledge about the thermal conductivity of metal-organic frameworks that is previously found to grow usually with increasing porosity.

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Thermal conductivity of a perovskite-type metal–organic framework crystal

Cited by 45 publications

References 39 publications

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

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

CO₂ Capture in Metal–Organic Framework Adsorbents: An Engineering Perspective

Abnormal Effect of Phase Transition on Thermal Transport in Soft Porous Crystals

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Thermal conductivity of a perovskite-type metal–organic framework crystal

Cited by 45 publications

References 39 publications

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

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

CO2 Capture in Metal–Organic Framework Adsorbents: An Engineering Perspective

Abnormal Effect of Phase Transition on Thermal Transport in Soft Porous Crystals

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CO₂ Capture in Metal–Organic Framework Adsorbents: An Engineering Perspective