Framework-Catenation Isomerism in Metal−Organic Frameworks and Its Impact on Hydrogen Uptake

Ma, Shengqian; Sun, Daofeng; Ambrogio, Michael W.; Fillinger, Jacqueline A.; Parkin, Sean; Zhou, Hong‐Cai

doi:10.1021/ja067435s

Cited by 621 publications

(370 citation statements)

References 25 publications

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“…114 Kesanli et al 132 experimentally showed a high H 2 adsorption amount (1.12 wt% at 48 bar) at room temperature with interpenetrated MOFs, Sun et al 133 synthesized interwoven MOFs showing a high H 2 uptake of 1.90 wt% at 77 K and 1 bar, and Rowsell and Yaghi 134 measured H 2 storage capacities of various MOFs and then found that catenated MOFs show the highest H 2 uptake at low pressure below 1 bar. After the results, some experimental studies [135][136][137][138] on H 2 uptake in catenated MOFs were reported.…”

Section: Catenationmentioning

confidence: 99%

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

2009

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This critical review covers the application of computer simulations, including quantum calculations (ab initio and DFT), grand canonical Monte-Carlo simulations, and molecular dynamics simulations, to the burgeoning area of the hydrogen storage by metal-organic frameworks and covalent-organic frameworks. This review begins with an overview of the theoretical methods obtained from previous studies. Then strategies for the improvement of hydrogen storage in the porous materials are discussed in detail. The strategies include appropriate pore size, impregnation, catenation, open metal sites in metal oxide parts and within organic linker parts, doping of alkali elements onto organic linkers, substitution of metal oxide with lighter metals, functionalized organic linkers, and hydrogen spillover (186 references).

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Section: Catenationmentioning

confidence: 99%

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

2009

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“…6,7 In the latter additional small pores and adsorption sites are formed by the interpenetration of frameworks, leading to MOFs with multipores of different sizes that may exhibit enhanced gas adsorption and separation properties. [7][8][9][10][11][12][13] Currently, most theoretical [14][15][16][17][18][19][20][21][22][23] and experimental [24][25][26] investigations focus on noninterpenetrated MOFs and far less attention has been paid on these interpenetrated structures. Extensive studies have been carried out on the adsorption and diffusion of pure gases in MOFs, [1][2][3][4][5][6][8][9][10][14][15][16][17][18][24][25][26][27][28][29] but far less attention has been given to the separation of gas mixtures.…”

Section: Introductionmentioning

confidence: 99%

Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study

et al. 2008

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In this work a systematic molecular simulation study was performed to study the effect of interpenetration on gas mixture separation in metal-organic frameworks (MOFs). To do this, three pairs of isoreticular MOFs (IRMOFs) with and without interpenetration were adopted to compare their adsorption separation selectivity for CH 4 /H 2 mixtures at room temperature. The results show that methane selectivity is greatly enhanced in the interpenetrated IRMOFs compared with their noninterpenetrated counterparts, due to the formation of additional small pores and adsorption sites by the interpenetration of frameworks. Furthermore, this work shows methane selectivity behavior is more complex in the former and selectivity differs largely in the different areas of the pores, attributed to the existence of various small pores of different sizes. In addition, the present work shows the ideal adsorbed solution theory is likely to be applicable to interpenetrated MOFs with complex structures.

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“…Particularly, metal organic frameworks (MOFs) have generated large interest owing to their versatile architectures [35] and their promising applications not only in ion exchange, adsorption and gas storage [36][37][38][39][40][41], separation processes [42], heterogeneous catalysis [43,44], polymerization reactions [45,46], luminescence [47], non-linear optics [48] and magnetism [49], but also as drug carriers, systems for drug delivery [22,23,50,51], contrast agents for magnetic resonance imaging (MRI) [21] and systems with potential use in other biomedical applications [23].…”

Section: Introductionmentioning

confidence: 99%

Bio-Inspired Metal-Organic Frameworks in the Pharmaceutical World: A Brief Review

André¹,

Quaresma²

2016

Metal-Organic Frameworks

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One of the great challenges in the pharmaceutical industry is the search for more efficient and cost-effective ways to store and deliver existing drugs. Bio-inspired metalorganic frameworks (BioMOFs) are groundbreaking materials that have recently been explored for drug storage, delivery and controlled release as well as for applications in imaging and sensing for therapeutic and diagnostic. This review presents a brief overview on these materials, and by alluding to a few reported examples, it intends to clearly show the extremely important role that BioMOFs have been playing in the pharmaceutical field.

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Framework-Catenation Isomerism in Metal−Organic Frameworks and Its Impact on Hydrogen Uptake

Cited by 621 publications

References 25 publications

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study

Bio-Inspired Metal-Organic Frameworks in the Pharmaceutical World: A Brief Review

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