• Title/Summary/Keyword: IRMOF-3

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$D_2$ Adsorption on Ti-deposited Metal Organic Frames

  • Sa, Gong-Gil;Lee, Ji-Hwa
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.312-312
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    • 2011
  • 초고진공 장치 내에서 질량분석기와 티타늄 증착기를 이용하여 IRMOF-3에 증착된 티타늄과 수소 간의 흡착 특성을 TPD (Temperature Programmed Desorption)을 통하여 연구하였다. 티타늄을 흡착시키지 않은 순수한 IRMOF-3에 35K에서 주입한 중수소에 대한 TPD 데이터에서는 중수소가 저온 장치에 물리흡착된 약 50K에서의 작은 피크 이외에는 다른 흡착 특성을 보이지 않는다. 하지만 티타늄 2ML (Monolayer)를 흡착 시킨 IRMOF-3의 TPD 데이터에서는 약 60K와 95K에서의 두 피크가 보인다. 이는 분산된 티타늄과 중수소 사이에는 0.16eV와 0.25eV의 결합에너지를 가지는 두 가지의 다른 결합이 있다는 사실을 보여준다. 그리고 40K~110K에서 수소와 HD는 나오지 않고, 중수소만 나온 점은 주입한 중수소가 IRMOF-3에 분산된 티타늄에 쿠바스 상호작용에 의하여 분자상태로 화학 흡착되어 있을 것이라는 증거가 된다.

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Hydrogen adsorption experiments with IRMOF-3 as a sorbent, and the molecular modeling studies on the functionalized MOFs (IRMOF-3 의 수소 흡착 실험 및 Organic Linker 의 작용기에 따른 분자모델링 연구)

  • Lee, Eungsung;Oh, Youjin;Yoon, Jihye;Kim, Jaheon;Kim, DaeJin;Lee, Tae-Bum;Choi, Seung-Hoon;Lee, Jun;Cho, Sung June
    • Transactions of the Korean hydrogen and new energy society
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    • v.15 no.2
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    • pp.108-118
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    • 2004
  • To find out rational design and synthetic strategies toward efficient hydrogen storage materials, molecular modeling and quantum mechanical studies have been carried out on the MOFs(Metal-Organic Frameworks) having various organic linkers and nanocube frameworks. The calculation results about the free volume ratio, surface area, and electron density variation of the frameworks indicated that the capacity of the hydrogen storage of MOFs was largely dependent on the specific surface area and electron localization around benzene ring rather than the free volume of MOFs. The prediction of the modeling study could be supported by the hydrogen adsorption experiments using IRMOF-1 and -3, which showed more enhanced hydrogen storage capacities of IRMOF-3 compared with the IRMOF-1's at both experimental conditions, 77K, ∠ $H_2$ 1 atm and ambient temperature, ∠ $H_2$ 35 atm.

Rational Design of Coordination Polymers with Flexible Oxyethylene Side Chains

  • Choi, Eun-Young;Gao, Chun-Ji;Lee, Suck-Hyun;Kwon, O-Pil
    • Bulletin of the Korean Chemical Society
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    • v.33 no.4
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    • pp.1264-1267
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    • 2012
  • We rationally designed and synthesized metallopolymers with organic 1,4-benzenedicarboxylic acid (BDC) linkers with different lengths of oxyethylene side chains in order to examine the influence of side chains on the coordination characteristics. While in a previous report the BDC linkers with alkyl side chains were found to form three-dimensional (3D) isoreticular metal-organic framework (IRMOF) structures or one-dimensional (1D) coordination polymeric structures with short $-O(CH_2)_6CH_3$ or long $-O(CH_2)_9CH_3$ side chains, respectively, new BDC linkers with oxyethylene side chains of the same lengths, $-(OCH_2CH_2)_2CH_3$ and $-(OCH_2CH_2)_3CH_3$, form only 3D IRMOF structures. This result is attributed to the higher flexibility and smaller volume of oxyethylene side chains compared to alkyl side chains.