Synthesis, Characterization, and Application of Metal Organic Framework Nanostructures

Fernández, Carlos A.; Nune, Satish K.; Motkuri, Radha Kishan; Thallapally, Praveen K.; Wang, Chongmin; Li, Jun; Exarhos, Gregory J.; McGrail, B. Peter

doi:10.1021/la103590t

Cited by 23 publications

(134 citation statements)

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“…The cooperative binding of CO2 molecules inside the cavity of CB [7] has been observed. We report the adsorption of flue gases (CO2, N2 and CH4) on amorphous solid Cucurbit[7]uril (CB[7]) computationally.…”

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confidence: 88%

“…23 The synthetic macro-polycyclic receptors CB[n] have excellent ability to bind various organic, inorganic, biological molecules and ions in the aqueous phase as well as in the solid state. 13 In this article, we have examined the origin and magnitude of the possible interactions of the flue gases with CB [7] employing DFT (M06-2X) functional level of theory. 13 In this article, we have examined the origin and magnitude of the possible interactions of the flue gases with CB [7] employing DFT (M06-2X) functional level of theory.…”

Section: 13mentioning

confidence: 99%

“…4 In the steel making process, especially CO gas is used as a reducing agent, which is converted into CO 2 gas and emitted from the plants. 5 In recent years, metal-organic frameworks (MOFs) [6][7][8][9][10] or covalent organic frameworks (COFs) 11,12 are reported in the literature, which showed remarkable CO 2 sorption capacity and selectivity with an exceptionally high surface area. 5 In recent years, metal-organic frameworks (MOFs) [6][7][8][9][10] or covalent organic frameworks (COFs) 11,12 are reported in the literature, which showed remarkable CO 2 sorption capacity and selectivity with an exceptionally high surface area.…”

Section: Introductionmentioning

confidence: 99%

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The efficient capture and storage of flue gases is of current interest due to environment problem. The energy decomposition analysis (EDA) performed with the adsorbed CO2 on the wall of CB [7] shows that the dispersive force is playing an important role for the uptake of CO2 inside the cavity. The DFT calculations revealed that CO2 can be adsorbed more strongly inside the cavity of CB[7] compared to N2 and CH4 molecules.

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confidence: 99%

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In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

Sahu

Ganguly

2015

RSC Adv.

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The efficient capture and storage of flue gases is of current interest due to environment problem. We report the adsorption of flue gases (CO2, N2 and CH4) on amorphous solid Cucurbit[7]uril (CB[7]) computationally. The DFT calculations revealed that CO2 can be adsorbed more strongly inside the cavity of CB[7] compared to N2 and CH4 molecules. The glycoluril units of CB[7] are the preferential sites for the adsorption of CO2 gas molecules. The cooperative binding of CO2 molecules inside the cavity of CB [7] has been observed. The geometrical analysis reveals that the carbon atom of CO2 is in close proximity to the nitrogen atom of the glycoluril of CB[7] and the CO2 oxygen atom is in close contact to the carbonyl carbon of glycoluril unit. The calculated results show that four CO2 and four CH4 molecules can reside inside the CB[7] cavity. However, five N2 gas molecules can be accommodated inside the CB[7] cavity. The energy decomposition analysis (EDA) performed with the adsorbed CO2 on the wall of CB [7] shows that the dispersive force is playing an important role for the uptake of CO2 inside the cavity. The process of desorption was also examined with the desorption enthalpies (∆HDE) calculated per gas molecule, which suggests that both adsorption and desorption processes are kinetically feasible. The origin of interactions between the amorphous solid CB[7] and the flue gases can help to design the materials to maximize the capture and separation of such gases.

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confidence: 88%

Section: 13mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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confidence: 99%

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In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

Sahu

Ganguly

2015

RSC Adv.

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“…Currently, traditional laboratory approaches such as solvothermal, hydrothermal and microwave methods are used for their synthesis, which suffer from extended reaction times and low quality materials. To control MOF growth and its surfaces at the nanoscale, various surface capping polymers26 such as polydadmac15 or polyvinylpyrrolidone; PVP have been routinely used13141527. Modulators such as monodentate ligand, which are similar to an organic linker, are also routinely used for modulating MOF growth.…”

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confidence: 99%

Continuous, One-pot Synthesis and Post-Synthetic Modification of NanoMOFs Using Droplet Nanoreactors

Jambovane

Nune

Kelly

et al. 2016

Sci Rep

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Metal-organic frameworks (MOFs); also known as porous coordination polymers (PCP) are a class of porous crystalline materials constructed by connecting metal clusters via organic linkers. The possibility of functionalization leads to virtually infinite MOF designs using generic modular methods. Functionalized MOFs can exhibit interesting physical and chemical properties including accelerated adsorption kinetics and catalysis. Although there are discrete methods to synthesize well-defined nanoscale MOFs, rapid and flexible methods are not available for continuous, one-pot synthesis and post-synthetic modification (functionalization) of MOFs. Here, we show a continuous, scalable nanodroplet-based microfluidic route that not only facilitates the synthesis of MOFs at a nanoscale, but also offers flexibility for direct functionalization with desired functional groups (e.g., -COCH3, fluorescein isothiocyanate; FITC). In addition, the presented route of continuous manufacturing of functionalized nanosized MOFs takes significantly less time compared to state-of-the-art batch methods currently available (1 hr vs. several days). We envisage our approach to be a breakthrough method for synthesizing complex functionalized nanomaterials (metal, metal oxides, quantum dots and MOFs) that are not accessible by direct batch processing and expand the range of a new class of functionalized MOF-based functional nanomaterials.

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From Biomass Wastes to Highly Efficient CO₂ Adsorbents: Graphitisation of Chitosan and Alginate Biopolymers

et al. 2012

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Carbon spheres from natural biopolymers (alginate and chitosan) are easily synthesised by thermal treatment between 400 and 800 °C under an inert atmosphere. All the samples, including the untreated natural biopolymers, as well as the resulting carbon materials, exhibit a remarkable CO₂-adsorption capacity. The sample that exhibits the highest adsorption capacity was that obtained by carbonisation of alginate at 800 °C and subsequent treatment with KOH at 800 °C. This material exhibits a specific surface area of 765 m² g⁻¹, specific micropore volume of 0.367 cm³ g⁻¹, ultra-micropore volume of 0.185 cm³ g⁻¹, average ultra-micropore size of 0.7 nm and CO₂-adsorption capacity of 5 mmol g⁻¹ measured at 0 °C and atmospheric pressure. This value is close to the absolute record for CO₂ adsorption and, by far, the highest if we compare unit areas or consider the density of the material. The combination of the high N content already included in the chitosan structure and the elevated microporosity in the case of alginate are crucial factors to obtain these satisfactory values with an easy and green preparation procedure. Also, owing to the high conductivity of the alginate-derived carbon (better than graphite), it has been possible to develop a process of reversible adsorption-desorption by applying a voltage, which is a low-energy desorption method compared with the conventional method of vacuum and high temperatures. All these properties, together with the spherical shape of the material of 0.1 mm, which is the most suitable form to favour mass transfer in fluidised-bed reactors, make this material a highly promising adsorbent for industrial applications.

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Synthesis, Characterization, and Application of Metal Organic Framework Nanostructures

Cited by 23 publications

References 34 publications

In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

Continuous, One-pot Synthesis and Post-Synthetic Modification of NanoMOFs Using Droplet Nanoreactors

From Biomass Wastes to Highly Efficient CO₂ Adsorbents: Graphitisation of Chitosan and Alginate Biopolymers

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Synthesis, Characterization, and Application of Metal Organic Framework Nanostructures

Cited by 23 publications

References 34 publications

In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

Continuous, One-pot Synthesis and Post-Synthetic Modification of NanoMOFs Using Droplet Nanoreactors

From Biomass Wastes to Highly Efficient CO2 Adsorbents: Graphitisation of Chitosan and Alginate Biopolymers

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From Biomass Wastes to Highly Efficient CO₂ Adsorbents: Graphitisation of Chitosan and Alginate Biopolymers