• Title/Summary/Keyword: Fullerene

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The effects of C60 & C70 on the nanostructure of ZnPc thin films during thermal process

  • Geum, Hui-Seong;Lee, Si-U;Choe, Min-Su;Kim, Jang-Ju;Lee, Hyeon-Hwi;Kim, Hyo-Jeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.141.1-141.1
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    • 2016
  • 저분자 유기태양전지에 사용되는 zinc phthalocyanine(ZnPc)기반의 유기 2층 박막 구조인 ZnPc/C60와 ZnPc/C70에서, 열처리 온도에 따른 유기물층 계면의 변화, ZnPc 층의 격자상수와 응력 변화를 x-ray reflectivity와 GIWAXS 측정을 이용하여 연구하였다. C60 fullerene 층이 있는 ZnPc의 계면은 열처리 온도가 증가하면서 계면의 거칠기가 증가하였으나, C70 fullerene 층이 있을 때는 180도의 고온에서도 계면 거칠기가 증가하지 않고 안정한 상태를 유지하였다. Fullerene층이 있는 ZnPc는 단일 ZnPc 박막에 비해 압축 응력(compressive strain)을 더 받게 되나, 박막의 열처리 온도가 증가함에 따라 응력이 점진적으로 감소하게 된다. 특히 C70 fullerene 층이 있는 경우 ZnPc의 경우 180도에서 응력이 모두 사라진다. 이러한 fullerene 종류에 따른 박막의 응력과 계면의 안정성 특성은 표면 모폴로지에 영향을 주게 되어, ZnPC/C60 박막의 경우 ZnPc/C70에 비해 약 2배 큰 120nm의 grain을 갖게 된다.

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Theoretical Study on the Geometric Property of Higher Fullerene C90 (Higher Fullerene C90의 기하학적 성질에 대한 이론적 연구)

  • Kwak, K.D.;Ha, Y.S.;Seo, M.R.
    • Applied Chemistry for Engineering
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    • v.10 no.6
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    • pp.881-884
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    • 1999
  • We have studied the other unit which is partial element in fullerene $C_{90}$. The energy of the higher fullerene increased by 5.6 kcal/mol for each $1.0{\beta}$ of planarity for the other units and increased by 11.0 kcal/mol for each $2C_1$ other unit at RHF/AM1 method. Therefore, we have known that the stable $C_{90}$ isomer do not have $C_1$ unit in other unit and have small planarity. The confirmable $C_{90}$ isomers by experiment satisfies these two conditions.

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A DFT Study on Alkali and Alkaline Earth Metal Encapsulated Fullerene-Like BeO Cluster

  • Ravaei, Isa;Beheshtian, Javad
    • Journal of the Korean Chemical Society
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    • v.61 no.6
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    • pp.311-319
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    • 2017
  • By using Density Functional Theory (DFT), we have performed alkali metal and alkaline earth metal inside fullerene-like BeO cluster (FLBeOC) in terms of energetic, geometric, charge transfer, work function and electronic properties. It has been found that encapsulated processes of the alkali metal are exothermic and thermodynamically more favorable than alkaline earth metal encapsulation, so that interaction energy ($E_{int}$) of the alkali metal encapsulation FLBeOC is in the range of -0.02 to -1.15 eV at level of theory. It is found that, the electronic properties of the pristine fullerene-like BeO cluster are much more sensitive to the alkali metal encapsulation in comparison to alkaline earth metal encapsulation. The alkali and alkaline earth metal encapsulated fullerene-like BeO cluster systems exhibit good sensitivity, promising electronic properties which may be useful for a wide variety of next-generation nano-sensor device components. The encapsulation of alkali and alkali earth metal may increase the electron emission current from the FLBeOC surface by reducing of the work function.

Synthesis of Zinc Oxide Nanoparticle-(C60) Fullerene Nanowhisker Composite for Catalytic Degradation of Methyl Orange under Ultraviolet and Ultrasonic Irradiation

  • Ko, Jeong Won;Son, Yeon-A;Ko, Weon Bae
    • Elastomers and Composites
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    • v.55 no.4
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    • pp.321-328
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    • 2020
  • Zinc nitrate hexahydrate (Zn(NO3)2·6H2O) and sodium hydroxide (NaOH) were dissolved in distilled water and stirred for 30 min. The resulting solution was sonicated by an ultrasonic wave for 45 min. This solution was washed with distilled water and ethanol after centrifugation; next, it was placed in an electric furnace at 200℃ for 1 h under the flow of Ar gas to obtain zinc oxide nanoparticle. A zinc oxide nanoparticle-(C60) fullerene nanowhisker composite was synthesized using the zinc oxide nanoparticle solution, C60-saturated toluene, and isopropyl alcohol via the liquid-liquid interfacial precipitation method. The zinc oxide nanoparticle and zinc oxide nanoparticle-(C60) fullerene nanowhisker composite were characterized using X-ray diffraction, scanning electron microscopy, and Raman spectroscopy, and they were used for the catalytic degradation of methyl orange (MO) under ultraviolet (at 254 and 365 nm) and ultrasonic irradiation. In addition, the catalytic degradation of MO over the zinc oxide nanoparticle and zinc oxide nanoparticle-(C60) fullerene nanowhisker composite was evaluated using ultraviolet-visible spectroscopy.

Electronic Structures of a Macrocyclic Fulleropyrrolidine

  • 황선구;이종명;전일철
    • Bulletin of the Korean Chemical Society
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    • v.17 no.12
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    • pp.1112-1117
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    • 1996
  • The electronic structures of twenty-seven isomers of a macrocyclic fulleropyrrolidine are investigated with semi-empirical extended Huckel (EH) molecular orbital method. The geometry of each isomer is determined by the molecular mechanics and dynamics methods based on UFF (universal force field) empirical force field. The calculated geometries, such as the carbon-carbon distances of the fullerene moiety, are in good agreement with those of related fullerene derivatives. The EH calculation shows that the formation of macrocyclic pyrrolidine ring on fullerene moiety results in the reduction of the HOMO-LUMO energy gap. From the graphical analysis of the DOS (density of states), PDOS (projected DOS), and MOOP (molecular orbital overlap population) curves, we can find that this reduction is due to splitting of the HOMO of fullerene moiety, which results from the symmetry-breaking and the distortion of the buckminsterfullerene framework from its ideal icosahedral structure.

Ultrasonic Monitoring of Reaction of Fullerene$[C_{60}]$ with 3-Chloroperoxy Benzoic acid (풀러렌$[C_{60}]$과 3- Chloroperoxy Benzoic acid 반응의 초음파적 조사)

  • Ko, Weon-Bae;Buckin, Vitaly
    • Elastomers and Composites
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    • v.41 no.1
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    • pp.57-62
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    • 2006
  • The reaction of fullerene$[C_{60}]$ and 3-chloroperoxy benzoic acid in 1,2-dichlorobenzene was monitored by high resolution ultrasonic spectroscopy and the product of reaction by fullerene $[C_{60}]$ and 3-chloroperoxy benzoic acid in 1,2-dichlorobenzene was characterized using MALDI-TOF-MS spectra.

Monitoring Oxidation Behavior of [C70]Fullerene by Ultrasonic Spectroscopy ([C70]풀러렌 산화 반응의 거동에 관한 초음파 분광학적 고찰)

  • Ko, Weon Bae
    • Elastomers and Composites
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    • v.49 no.2
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    • pp.155-159
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    • 2014
  • High resolution ultrasonic spectroscopy was used to observe the oxidation of [$C_{70}$]fullerene with 3-chloroperoxy benzoic acid in 1,2-dichlorobenzene. UV-vis spectroscopy and X-ray diffraction confirmed the resulting roducts of [$C_{70}$]fullerene oxidation.

Synthesis of Gold Nanoparticles Using Fullerene Oxide and Their Catalytic Activity for Reduction of 4-Nitroaniline

  • Park, Geun Wook;Ko, Jeong Won;Ko, Weon Bae
    • Elastomers and Composites
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    • v.54 no.2
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    • pp.105-109
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    • 2019
  • Gold nanoparticles were synthesized by reacting potassium tetrachloroaurate ($KAuCl_4$), potassium carbonate ($K_2CO_3$), and isopropyl alcohol in the presence of fullerene oxide [$C_{60}(O)_n$, $n{\geq}1$], which was, in turn, prepared from [$C_{60}$] fullerene and m-chloroperoxybenzoic acid under refluxing conditions. The crystallinity and morphology of the prepared gold nanoparticles were confirmed by UV-vis spectroscopy, X-ray diffraction, and scanning electron microscopy. The activity of the gold nanoparticles in the reduction of 4-nitroaniline was measured in order to determine its capability as a catalyst.

Pyrrole Polymer Film Electrode Modified with Fullerene (Fullerene으로 수식된 피롤고분자 피막전극)

  • Cha, Seong-Keuck;Ahn, Byung-Ki
    • Journal of the Korean Electrochemical Society
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    • v.5 no.1
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    • pp.13-16
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    • 2002
  • The type of graphite(Gr)/ppy, fullerene$(full^-)$ electrode, ppy one modified with $(full^-)$, was prepared with the cell type of Gr/5mM ppy, 1mM $(full^-)$, 0.1M $TBABF_4$, CH3CN/Pt. The values of the ionic formation rate of the it at electrode materials such as Pt/ppy, Pt, Gr and Au were $93.6,\;7.0\times10^2,\;42.6\;and\;1.3\times10^2cms^{-1}$ respectively. The admittance values of the Grippy electrode and the modified Grippy, $(full^-)$ one were five times enhanced $1.7\times10^{-3}S\;to\;8.3\times10^{-3}\;S$ and capacitance values of electrical double layer of them were 174 times increased $2.4\times10^{-6}\;F\;to\;4.2\times10^{-5}\;F$ respectively.