• Title, Summary, Keyword: fullerene[$C_{60}$]

Search Result 77, Processing Time 0.038 seconds

Fullerene Dimers Connected through C24 and C36 Bridge Cages

  • Anafcheh, Maryam;Ghafouri, Reza
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.4
    • /
    • pp.1005-1010
    • /
    • 2014
  • We have performed DFT calculations to devise some possible fullerene dimers (from $C_{60}$ and $C_{80}$) connected through $C_{24}$ and $C_{36}$ bridge cages with the face-to-face linking model. The fullerene dimers with $C_{36}$ bridges have lower binding energies and greater HOMO-LUMO gaps than those of the fullerene dimers with $C_{24}$ bridges. Also, the replacement of $C_{60}$ cages with $C_{80}$ ones always leads to an increase in binding energies and HOMO-LUMO gaps in these systems. Dimerization of $C_{60}$ and $C_{80}$ fullerenes with $C_{24}$ and $C_{36}$ results in a significant decrease in antiaromaticity of the antiaromatic cages $C_{24}$ and $C_{80}$, and an increase in the aromaticity of the aromatic cages $C_{36}$ and $C_{60}$. Therefore, DFT results indicate that those fullerene dimers involving the initially harshly antiaromatic $C_{24}$ or $C_{80}$ cages are more energetically favorable configuration than the fullerene dimers involving the aromatic $C_{36}$ and $C_{60}$ cages.

Reactions and Properties of Fullerene ($C_{60}$) (풀러렌의 성질과 반응)

  • Lim, Choong-Sun;Hong, Seong-Kyu;Ko, Weon-Bae
    • Elastomers and Composites
    • /
    • v.45 no.2
    • /
    • pp.74-79
    • /
    • 2010
  • In this review, the properties of buckminsterfullerene and its organic and polymeric reactions were focused. In addition, polymer blending with $C_{60}$ will be briefly introduced. As soon as $C_{60}$ was discovered, chemists put their efforts to explore its reactivity with other compounds. The knowledge of the organic reactions with $C_{60}$ was extended to construct different types of fullerene polymers such as side chain fullerene polymers, main chain fullerene polymers, star shaped fullerene polymers, and dendritic fullerene polymers.

Preparation of [C60]Fullerene-CoS2 Nanocomposites and Kinetics Study for Photocatalytic Degradation of Organic Dyes

  • Kim, Jae Jin;Ko, Weon Bae
    • Elastomers and Composites
    • /
    • v.51 no.1
    • /
    • pp.49-55
    • /
    • 2016
  • Nanosized cobalt disulfide ($CoS_2$) particles were synthesized with 0.08 M cobalt chloride hexahydrate ($CoCl_2{\cdot}6H_2O$) and 0.2 M sodium thiosulfate pentahydrate ($Na_2S_2O_3{\cdot}5H_2O$) dissolved in distilled water under microwave irradiation. $[C_{60}]Fullerene-CoS_2$ nanocomposites were prepared with nanosized $CoS_2$ particles and [$C_{60}$]fullerene as heated by $700^{\circ}C$ for 2 h in an electric furnace. X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) identified the heated $[C_{60}]fullerene-CoS_2$ nanocomposites. Heated $[C_{60}]fullerene-CoS_2$ nanocomposites were investigated the activity of photocatalytic degradation as a catalyst in various organic dyes like acid yellow 23, methylene blue, methyl orange, and rhodamine B with ultraviolet light at 254 nm by UV-vis spectrophotometer.

Preparation and characterization of fullerene dimer [C120] by trichloroperbenzoic acid oxidation method

  • Oh, Won-Chun;Jung, Ah-Reum;Ko, Weon-Bae
    • Analytical Science and Technology
    • /
    • v.20 no.2
    • /
    • pp.124-130
    • /
    • 2007
  • In this study, we present the preparation and characterization of oxidized fullerene and fullerene dimer [$C_{120}$]. From the XRD data, other weak peaks with pristine fullerene [$C_{60}$] peaks were observed in the X-ray diffraction patterns for fullerene dimer [$C_{120}$]. SEM micrographs for the fullerene dimer [$C_{120}$] indicated that practically all the surface state was shown the drastic morphology changes and its outer surface is clearly visible and resulted in clogging and frost-like formation. From the MALDI-TOF mass spectra, the differences in the spectra recorded on two kinds of fullerene are due to the oxidation including chemical bonding and bridging between the $C_{60}$ molecules. We also obtained additional information from FT-IR spectra on functional component on the chemically modified surface of oxidized fullerene and fullerene dimer [$C_{120}$].

Synthesis of Hybrid Fullerene Oxide[C60(O)n, (n≥1)] - Silver Nanoparticle Composites and Their Catalytic Activity for Reduction of 2-, 3-, 4-Nitroaniline

  • Park, Jeong Hoon;Ko, Jeong Won;Ko, Weon Bae
    • Elastomers and Composites
    • /
    • v.54 no.3
    • /
    • pp.252-256
    • /
    • 2019
  • Fullerene oxide[$C_{60}(O)_n$, ($n{\geq}1$)] was synthesized by dissolving fullerene[$C_{60}$] and 3-chloroperoxybenzoic acid in toluene under refluxing condition for 5 h. Hybrid fullerene oxide-silver nanoparticle composites were synthesized by dissolving fullerene oxide and silver nitrate[$AgNO_3$] in diethylene glycol under ultrasonic irradiation for 3 h. The synthesized hybrid nanocomposites were characterized by X-ray diffraction, scanning electron microscopy, and ultraviolet-visible[UV-vis] spectroscopy. The catalytic activity for the reduction of various nitroanilines[NAs] was identified by UV-vis spectrophotometer. The efficiency of the catalytic reduction by the synthesized hybrid nanocomposites has an order of 4-NA > 2-NA > 3-NA.

Preparation and Characterizations of C60/Polystyrene Composite Particle Containing Pristine C60 Clusters

  • Kim, Jung-Woon;Kim, Kun-Ji;Park, Soo-Yeon;Jeong, Kwang-Un;Lee, Myong-Hoon
    • Bulletin of the Korean Chemical Society
    • /
    • v.33 no.9
    • /
    • pp.2966-2970
    • /
    • 2012
  • Fullerene/polystyrene ($C_{60}$/PS) nano particle was prepared by using emulsion polymerization. Styrene and fullerene were emulsified in aqueous media in the presence of poly(N-vinyl pyridine) as an emulsion stabilizer, and polymerization was initiated by water soluble radical initiator, potassium persulfate. The obtained nano particles have an average diameter in the range of 400-500 nm. The fullerene contents in the nano particle can be controlled up to 15 wt % by varying the feed ratio, which was confirmed by themogravimetric analysis (TGA) and elemental analysis (EA). The structure and morphologies of the $C_{60}$/PS nano particles were examined by various analytical techniques such as dynamic light scattering (DLS), scanning electron microscope (SEM), transmission electron microscope (TEM), electron diffraction (ED) pattern, X-ray powder diffraction (XRD), and UV spectroscopy. Unlike conventional $C_{60}$/PS particles initiated by organic free radical initiators, in which the fullerene is copolymerized forming a covalent bond with styrene monomer, the prepared $C_{60}$/PS nano particles contain pristine fullerene as secondary particles homogeneously distributed in the polystyrene matrix.

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
    • /
    • v.41 no.1
    • /
    • pp.57-62
    • /
    • 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.

The Oxidation of Fullerene[$C_{60}$] using Several Oxidants under Microwave Irradiation (마이크로파 조건에서 여러가지 산화제를 이용한 풀러렌[$C_{60}$의 산화반응)

  • Ko, Weon-Bae;Hwang, Sung-Ho;Ahn, Ju-Hyun
    • Elastomers and Composites
    • /
    • v.40 no.1
    • /
    • pp.45-52
    • /
    • 2005
  • Synthesis or fullerene oxides[$C_{60}(O)_n$] ($n=1{\sim}4$ or n=1) by fullerene[$C_{60}$] and several oxidants such as 3-chloroperoxy benzoic acid, benzoyl peroxide, trichloroisocyanuric acid, and chromium(VI) oxide took place under microwave irradiation. The reactivity in solid state of fullerene[$C_{60}$] with various oxidants under same microwave rendition increased in order or 3- chloroperoxy benzoic acid > benzoyl peroxide > trichloroisocyanuric acid $\simeq$chromium(VI) oxide. The MALDI-TOF-MS, UV-visible spectra and HPLC analysis confirmed that the products of fullerene oxidation were [$C_{60}(O)_n$] ($n=1{\sim}4$ or n=1).

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
    • /
    • /
    • pp.141.1-141.1
    • /
    • 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.

  • PDF

Impacts of C60-Ionic Liquids (ILs) Interactions and IL Alkyl Chain Length on C60 Dispersion Behavior: Insights at the Molecular Level

  • Wang, Zhuang;Tang, Lili;Wang, Degao
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.9
    • /
    • pp.2679-2683
    • /
    • 2014
  • Mechanisms underlying the impacts of interactions between carbon nanoparticles (CNPs) and ionic liquids (ILs) on the physicochemical behavior of CNPs need to be more full worked out. This manuscript describes a theoretical investigation at multiple levels on the interactions of fullerene $C_{60}$ with 21 imidazolium-based ILs of varying alkyl side chain lengths and anionic types and their impacts on $C_{60}$ dispersion behavior. Results show that ${\pi}$-cation interaction contributed to mechanism of the $C_{60}$-IL interaction more than ${\pi}$-anion interaction. The calculated interaction energy ($E_{INT}$) indicates that $C_{60}$ can form stable complex with each IL molecule. Moreover, the direction of charge transfer occurred from IL to $C_{60}$ during the $C_{60}$-IL interaction. Quantitative models were developed to evaluate the self-diffusion coefficient of $C_{60}$ ($D_{fullerene}$) in bulk ILs. Three interpretative molecular descriptors (heat of formation, $E_{INT}$, and charge) that describe the $C_{60}$-IL interactions and the alkyl side chain length were found to be determinants affecting $D_{fullerene}$.