MOFs as Adsorbents for Low Temperature Heating and Cooling Applications

Henninger, Stefan K.; Habib, Hesham A.; Janiak, Christoph

doi:10.1021/ja808444z

Cited by 417 publications

(253 citation statements)

References 20 publications

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“…3,4 The wide structural diversity offered by this class has high potential for various applications including gas storage, 5,6 catalysis, 7 sensoring, 8 gas separation 9 and others, such as heat-transformation applications. [10][11][12][13] They are designed from inorganic building blocks, e.g., metal ions or clusters interconnected by polyfunctional organic ligands.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study

et al. 2013

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Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study

et al. 2013

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“…The other reason is that these complexes have many potential applications in, for example, magnetism, gas separation, optoelectronics and biomimetic materials. [7][8][9][10][11] Studies in this field have been focused on the design and preparations of coordination complexes, as well as structure-property relationships. Among the reported organic ligands, carboxylate compounds and N-donor compounds are the most efficient families and play dominant roles in fabrication of coordination complexes.…”

Section: -6mentioning

confidence: 99%

Synthesis, Crystal Structure and Characterization of Cu(II) and Cd(II) Coordination Compounds Based on Ligand 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)acetic Acid

Zhang¹,

Wang²,

Mao

et al. 2014

Bulletin of the Korean Chemical Society

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Two novel coordination compounds [Cu 2 (pypya) 3 (H 2 O) 2 ]·Cl·(H 2 O) 5 (1) and {[Cd(pypya)(ta) 1/2 ]·H 2 O} n (2) (Hpypya=2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetic acid, H 2 ta=terephthalic acid) were synthesized and characterized by single X-ray diffraction. Structure determination reveals that complex 1 and complex 2 crystallize in the triclinic system, with the P-1 space group. The asymmetric unit of 1 contains two Cu(II) ions, and their coordination modes are different. These units of complex 1 are linked together via hydrogen bonds and π-π interactions, and the 3D structure of complex 1 was formed. Complex 2, a mononuclear Cd(II) coordination compound, has a 2D structure which was constructed via coordination bonds. TGA and fluorescence spectra analysis of complex 1 and complex 2 have also been studied. In addition, the geometry parameters of complex 1 have been optimized with the B3LYP method of density functional theory (DFT) to explain its coordination behavior. The electronic properties of the complex 1 and ligand Hpypya have been investigated based on the nature bond orbital (NBO) analysis at the B3LYP level of theory. The result verifies that the synergistic effect have occurred in the compound.

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“…In this context, thermal battery based on the adsorption/desorption mechanism using clean working fluids such as water appear to be a promising alternative [1,2]. Although the physical principle of these batteries is already wellknown and they have been commercialized since 19 th century, their low efficiency and lack of environment-friendly adsorbate/adsorbent pairs makes this technology obsolete.…”

Section: Introductionmentioning

confidence: 99%

Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries

2017

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Thermal batteries based on a reversible adsorption/desorption of a working fluid (water, methanol, ammonia) rather than the conventional vapor compression is a promising alternative to exploit waste thermal energy for heat reallocation. In this context, there is an increasing interest to find novel porous solids able to adsorb a high energy density of working fluid under low relative vapor pressure condition combined with an easy ability of regeneration (desorption) at low temperature, which are the major requirements for adsorption driven heat pumps and chillers. The porous crystalline hybrid materials named Metal-Organic Frameworks (MOF) represent a great source of inspiration for sorption based-applications owing to their tunable chemical and topological features associated with a large variability of pore sizes. Recently, we have designed a new MOF named MIL-160 (MIL stands for Materials of Institut Lavoisier), isostructural to CAU-10, built from the assembly of corner sharing aluminum chains octahedra AlO 4 (OH) 2 with the 2,5-furandicarboxylic linker substituting the pristine organic linker, 1,4-benzenedicarboxylate. This ligand replacement strategy proved to enhance both the hydrophilicity of the MOF and its amount of water adsorbed at low p/p 0 . This designed solid was synthesized and its chemical stability/adsorption performances verified. Here, we have extended this study by incorporating other polar heterocyclic linkers and a comparative computational study of the water adsorption performances of these novel structures has been performed. To that purpose, the cell and geometry optimizations of all hypothetical frameworks were first performed at the density functional theory level and their water adsorption isotherms were further predicted by using force-field based Grand-Canonical Monte Carlo simulations. This study reveals the ease tunable water affinity of MOF for the desired application.

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MOFs as Adsorbents for Low Temperature Heating and Cooling Applications

Cited by 417 publications

References 20 publications

Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study

Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study

Synthesis, Crystal Structure and Characterization of Cu(II) and Cd(II) Coordination Compounds Based on Ligand 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)acetic Acid

Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries

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