• Title, Summary, Keyword: Metal-organic framework

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Understanding the Mechanism of Hydrogen Adsorption into Metal Organic Frameworks (Metal-Organic Framework의 수소 흡착 메커니즘의 이해)

  • Lee, Tae-Bum;Kim, Dae-Jin;Yoon, Ji-Hye;Choi, Sang-Beom;Kim, Ja-Heon;Choi, Seung-Hoon
    • 한국신재생에너지학회:학술대회논문집
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    • pp.634-637
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    • 2005
  • Hydrogen adsorption mechanism onto the porous metal-organic frameworks (MOFs) has been studied by density functional theory calculation. The selected functionals for the predict ion of interact ion energies between hydrogen and potential adsorption sites of MOF was utilized after the evaluation with the various functionals for interaction energy of $H_2C_6H_6$ model system the adsorption energy of hydrogen molecule into MOF was investigated with the consideration of the favorable adsorption sites and the orientations. We also calculated the second favorable adsorption sites by geometry optimization using every combination of two first absorbed hydrogen molecules. Based on the calculation of first and second adsorption sites and energies, the hydrogen adsorption into MOF follows a cooperative mechanism in which the initial metal sites initiate the propagation of the hydrogen adsorption on the whole frameworks. In addition, it was found that the interaction strength between the simple benzene ring with hydrogen is significantly reinforced when the benzene ring has been incorporated into the framework of MOFs.

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Preparation and Pore-Characteristics Control of Nano-Porous Materials using Organometallic Building Blocks

  • Oh, Gyu-Hwan;Park, Chong-Rae
    • Carbon letters
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    • v.4 no.1
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    • pp.1-9
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    • 2003
  • Recently, the control of pore-characteristics of nano-porous materials has been studied extensively because of their unique applications, which includes size-selective separation, gas adsorption/storage, heterogeneous catalysis, etc. The most widely adopted techniques for controlling pore characteristics include the utilization of pillar effect by metal oxide and of templates such as zeolites. More recently, coordination polymers constructed by transition metal ions and bridging organic ligands have afforded new types of nano-porous materials, porous metal-organic framework(porous MOF), with high degree and uniformity of porosity. The pore characteristics of these porous MOFs can be designed by controlling the coordination number and geometry of selected metal, e.g transition metal and rare-earth metal, and the size, rigidity, and coordination site of ligand. The synthesis of porous MOF by the assembly of metal ions with di-, tri-, and poly-topic N-bound organic linkers such as 4,4'-bipyridine(BPY) or multidentate linkers such as carboxylates, which allow for the formation of more rigid frameworks due to their ability to aggregate metal ions into M-O-C cluster, have been reported. Other porous MOF from co-ligand system or the ligand with both C-O and C-N type linkage can afford to control the shape and size of pores. Furthermore, for the rigidity and thermal stability of porous MOF, ring-type ligand such as porphyrin derivatives and ligands with ability of secondary bonding such as hydrogen and ionic bonding have been studied.

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Green synthesis of aluminum-based metal organic framework for the removal of azo dye Acid Black 1 from aqueous media

  • Jung, Kyung-Won;Choi, Brian Hyun;Lee, Seon Yong;Ahn, Kyu-Hong;Lee, Young Jae
    • Journal of Industrial and Engineering Chemistry
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    • v.67
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    • pp.316-325
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    • 2018
  • Aluminum based metal-organic framework using a di-carboxylate linker succinic acid (Al-SA MOF), are synthesized in water with minimal generation of secondary pollutants. The physicochemical properties of Al-SA MOF were examined, followed by its utility for the adsorption of Acid Black 1 (AB1) in aqueous media. Influences of key parameters such as pH, contact time, initial AB1 concentration,temperature, and selectivity on the adsorption process were assessed. A series of adsorption mechanisms are proposed, which involve electrostatic, hydrogen bonding, and hydrophobic interactions. These findings suggest that Al-SA MOF is a potent candidate in removing complex azo dyes molecules from aqueous media.

Catalytic Application of Metal-Organic Frameworks for Chemical Fixation of CO2 into Cyclic Carbonate (CO2로부터 5원환 탄산염의 화학적 고정화 반응을 위한 Metal-Organic Frameworks의 촉매적 응용)

  • Ji, Hoon;Naveen, Kanagaraj;Kim, Dongwoo;Cho, Deug-Hee
    • Applied Chemistry for Engineering
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    • v.31 no.3
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    • pp.258-266
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    • 2020
  • The chemical fixation of CO2 into cyclic carbonates is considered to be one of the most promising way to alleviate global warming and produce fine chemicals. In this work, the catalytic applicability of metal-organic frameworks (MOFs) as porous crystalline materials for the synthesis of five-membered cyclic carbonate from CO2 and epoxides was reviewed. In addition, we have briefly classified the materials based on their different structural features and compositions. The studies revealed that MOFs exhibited good catalytic performance towards cyclic carbonate synthesis because of the synergistic effect between the acid sites of MOFs and nucleophile. Moreover, the effect of structure of designed MOFs and mechanism for the cycloaddition of CO2 were suggested.

Characterization of electrochemical behaviour for supercapacitor based on porous activated carbon composite with various contents of metal-organic framework(MOF) (금속유기골격체(Metal-organic Framework)의 함량에 따른 다공성 활성탄소 복합재료 기반 슈퍼커패시터의 전기화학적 거동 분석)

  • Jeong, Hyeon Taek;Kim, Yong Ryeol
    • Journal of the Korean Applied Science and Technology
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    • v.37 no.5
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    • pp.1200-1207
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    • 2020
  • We have fabricated the supercapacitor composed of porous activated carbon, metal-organic framework (MOF) with polymer based solid state electrolyte as a "ion gel" and characterized its electrochemical behaviour as a function of the MOF contents. The electrochemical properties of the supercapacitor were analyzed via cyclic voltammetry(CV), electrochemical impedance spectroscopy(EIS) and galvanostatic charge/discharge test. As a results, the supercapacitor based on porous activated carbon/MOF composite showed the highest capacitance value at 0.5 wt% of MOF contents and decreased capacitance with increase MOF contents over the 0.5 wt%. Consequently, the porous activated carbon/MOF composite based supercapacitor is applicable to various aspect for energy storage device.