Unconventional mechanical and thermal behaviours of MOF CALF-20

Fan, Dong; Naskar, Supriyo; Maurin, Guillaume

doi:10.1038/s41467-024-47695-6

Cited by 4 publications

(2 citation statements)

References 76 publications

(89 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To facilitate the successful development of these AI/ML models, researchers are encouraged to deposit high-quality experimental and simulated adsorption data in an easily searchable, freely accessible public domain following the FAIR (findable, accessible, interoperable, and reusable) guidelines advocated by Coudert and the adsorption information format (AIF) recommended by the IUPAC task force on standardized reporting of gas adsorption isotherms led by Kaskel. However, a more forward-looking and technically sound approach involves the development of a universal set of ML potentials − capable of capturing the intricacies of diverse host–guest interactions with DFT-level accuracy. This represents a transformative step toward reducing/eliminating the reliance on generic force fields in adsorption/diffusion calculations.…”

Section: Summary and Future Perspectivesmentioning

confidence: 99%

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Shen,

Kumar,

Wahiduzzaman

et al. 2024

Chem. Rev.

Self Cite

View full text Add to dashboard Cite

The energy demand for traditional vapor-compressed technology for space cooling continues to soar year after year due to global warming and the increasing human population's need to improve living and working conditions. Thus, there is a growing demand for eco-friendly technologies that use sustainable or waste energy resources. This review discusses the properties of various refrigerants used for adsorption cooling applications followed by a brief discussion on the thermodynamic cycle. Next, sorbents traditionally used for cooling are reviewed to emphasize the need for advanced capture materials with superior properties to improve refrigerant sorption. The remainder of the review focus on studies using engineered nanoporous frameworks (ENFs) with various refrigerants for adsorption cooling applications. The effects of the various factors that play a role in ENF−refrigerant pair selection, including pore structure/ dimension/shape, morphology, open-metal sites, pore chemistry and possible presence of defects, are reviewed. Next, in-depth insights into the sorbent−refrigerant interaction, and pore filling mechanism gained through a combination of characterization techniques and computational modeling are discussed. Finally, we outline the challenges and opportunities related to using ENFs for adsorption cooling applications and provide our views on the future of this technology.

show abstract

Section: Summary and Future Perspectivesmentioning

confidence: 99%

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Shen,

Kumar,

Wahiduzzaman

et al. 2024

Chem. Rev.

Self Cite

View full text Add to dashboard Cite

show abstract

“…TNLC is induced by a uniaxial load, so it is more convenient in practice. And the concept has been widely recognized [30][31][32][33][34][35][36][37]. The related research, however, is very limited.…”

Section: Introductionmentioning

confidence: 99%

Reversible negative compressibility metamaterials inspired by Braess’s Paradox

Zha,

Zhang

2024

Smart Mater. Struct.

View full text Add to dashboard Cite

Negative compressibility metamaterials have attracted significant attention due to their distinctive properties and promising applications. Negative compressibility has been interpreted in two ways. Regarding the negative compressibility induced by a uniaxial load, it can only occur abruptly when the load reaches a certain threshold. Hence, it can be termed as transient negative compressibility. However, fabrication and experiments of such metamaterials have rarely been reported. Herein, we demonstrate them. Inspired by Braess’s paradox, a novel mechanical model is proposed with reversible negative compressibility. It shows multiple types of force responses during a loading-unloading cycle, including transient negative compressibility and hysteresis. Phase diagrams are employed to visualize the relationship between force responses and system parameters. Besides, explicit expressions for the conditions and intensity of negative compressibility are obtained for design and optimization. The model replacement method inspired by compliant mechanism design is then introduced to derive specific unit cell structures, thus avoiding intuition-based approaches. Additive manufacturing technology is utilized to fabricate the prototypes, and negative compressibility is validated via simulations and experiments. Furthermore, it is demonstrated that metamaterials with transient negative compressibility can be activated through electrical heating and can function as actuators, thereby possessing machine-like properties. The proposed mechanical metamaterial and the introduced design methodology have potentials to impact micro-electromechanical systems, force sensors, protective devices, and other applications.

show abstract

Unveiling Temperature-Induced Structural Phase Transformations and CO₂ Binding Sites in CALF-20

Drwęska,

Formalik,

Roztocki

et al. 2024

Inorg. Chem.

View full text Add to dashboard Cite

The increase in atmospheric carbon dioxide concentration linked to climate change has created a need for new sorbents capable of separating CO 2 from exhaust gases. Recently, an easily produced metal−organic framework, CALF-20, was shown to withstand over 450,000 adsorption/desorption cycles in steam and wet acid gases. Further development and industrial application of such materials require an understanding of the observed processes. Herein, we demonstrate that conditioning assynthesized CALF-20 single crystal transforms it into a different phase, γ-CALF-20. The transformation resulted in significant structural changes, including the binding of water molecules to Zn(II), accompanied by a reduction of 9% in the unit cell volume. Our experimental findings were supported by the energy-volume dependence of CALF-20 in the presence and absence of water molecules calculated from density functional theory. We have also monitored the sorption process of the dominant greenhouse gas, CO 2 , on the initial phase of CALF-20 at atomic resolution using in situ single-crystal X-ray diffraction under specific pressure. The new understanding of CALF-20 chemistry from these studies should facilitate development of novel sorbents for gas adsorption technologies.

show abstract

Unconventional mechanical and thermal behaviours of MOF CALF-20

Cited by 4 publications

References 76 publications

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Reversible negative compressibility metamaterials inspired by Braess’s Paradox

Unveiling Temperature-Induced Structural Phase Transformations and CO₂ Binding Sites in CALF-20

Contact Info

Product

Resources

About

Unconventional mechanical and thermal behaviours of MOF CALF-20

Cited by 4 publications

References 76 publications

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Reversible negative compressibility metamaterials inspired by Braess’s Paradox

Unveiling Temperature-Induced Structural Phase Transformations and CO2 Binding Sites in CALF-20

Contact Info

Product

Resources

About

Unveiling Temperature-Induced Structural Phase Transformations and CO₂ Binding Sites in CALF-20