• 제목/요약/키워드: $C_60^-

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A Theoretical Study of Electronic Structure and Properties of the Neutral and Multiply Charged $C_{60}$

  • 손만식;백유현;이종광;성용길
    • Bulletin of the Korean Chemical Society
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    • 제16권11호
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    • pp.1015-1019
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    • 1995
  • The electronic structures and properties of the neutral and multiply charged C60n ions (n=2+ to 6-) with spin states have been investigated by semi-empirical MNDO calculations. In the ground state, C601- has the lowest total energy and the highest binding energy. The neutral C60 ion is supposed to have a high ionization potential and a high electron affinity. The HOMO and LUMO positions are lower in the cationic C60 than in the anionic C60. The LUMO energy becomes increasingly positive from C601- to C606- and the HOMO energy becomes increasingly negative from C602+ to C60. The HOMO-LUMO gap of the neutral C60 ion is higher than that of the multiply charged C60 ions. From the HOMO-LUMO gap, it seems reasonable to expect that electrons of the multiply charged C60 ions will be more polarizable than those of the neutral C60 ion. The HOMO and LUMO energies increase as the negative charge increases.

풀러렌이 분산된 알루미늄기지 나노복합재의 기계적 거동 (Mechanical Behavior of Al/C60-fullerenes Nanocomposites)

  • 최현주
    • Composites Research
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    • 제26권2호
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    • pp.111-115
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    • 2013
  • $C_{60}$ 풀러렌이 분산된 알루미늄기지 복합재를 볼 밀링법과 열간압연 공정을 이용하여 제조하였다. 볼 밀링이 진행되는 동안, 알루미늄기지는 그 결정립이 100 nm 이하 수준으로 미세화되어 강화되었다. 동시에 $C_{60}$ 풀러렌이 알루미늄기지 내에 균일하게 분산되어, $C_{60}$ 풀러렌의 첨가량이 증가할수록 복합재의 강도가 증가하였으며, 10 vol%의 $C_{60}$ 풀러렌을 포함하는 순 알루미늄기지 복합재는 1 GPa 수준의 압축 강도를 나타내었다.

PEDOT-PSS/NPD-$C_{60}$ 정공 주입/수송 층이 도입된 유기발광소자의 성능 향상 연구 (Enhanced Efficiency of Organic Electroluminescence Diode Using PEDOT-PSS/NPD-$C_{60}$ Hole Injection/Transport Layers)

  • 박경남;강학수;나타라잔 센틸루마르;박대원;최영선
    • 폴리머
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    • 제33권5호
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    • pp.407-412
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    • 2009
  • 유기발광소자(OLED)에서 정공 수송층(hole injection layer, HIL)으로 사용되는 N,N'-di-1-naphthyl-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPD)가 정공 주입층(hole injection layer HIL)으로 사용된 PEDOT-PSS 층 위로 진공 증착되었다. PEDOT-PSS 층은 ITO 유리 위에 스핀 코팅되어 제조되었다. 또한, NPD와 $C_{60}$의 공증착에 의해 $C_{60}$이 약 10 wt% 도핑된 NPD-$C_{60}$ 층을 제조하였으며, AFM과 XRD를 이용하여 NPD-$C_{60}$ 박막의 모폴로지 특성을 관찰하였다. 다층 소자를 제조하여 J-Y, L-V 및 전류 효율 특성이 고찰되었다. $C_{60}$박막은 국부적인 결정성 구조를 가지고 있으나, NPD-$C_{60}$ 박막에서는 $C_{60}$ 분자가 균일하게 분산되어 $C_{60}$의 결정성 구조가 확인되지 않았다. 또한, $C_{60}$의 도핑에 의해서 박막의 표면이 균일해지는 것을 확인하였으며, 박막 내의 전류 밀도가 증가됨을 확인하였다. NPD-$C_{60}$ 박막을 이용하여 ITO/PEDOT-PSS/NPD-$C_{60}/Alq_3$/LiF/Al 다층 소자를 제조하였을 때, 소자의 휘도 측면에서 약 80% 향상 효과가 있었으며, 소자 효율 측면에서도 약 25%의 향상을 기대할 수 있었다.

C60@MWCNT: Room Temperature Encapsulation of C60 into Multiwall Carbon Nanotubes

  • Gupta, Vinay;Bahl, Om P.;Mathur, Rakesh B.
    • Carbon letters
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    • 제11권1호
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    • pp.9-12
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    • 2010
  • The synthesis of $C_{60}$@MWCNT was carried out at room temperature (${\sim}25^{\circ}C$) from arc-discharge prepared Multi-wall carbon nanotubes (MWCNTs). They were oxidized and acid treated for tube opening. Then $C_{60}$ molecules were encapsulated into MWCNTs by wetting them with $C_{60}$-toluene solution for several minutes followed by ultrasonification. $C_{60}$@MWCNT was cleaned by pure toluene to remove any excess $C_{60}$. $C_{60}$@MWCNT was characterized by electron microscopy, which showed large scale filling of $C_{60}$ into MWCNTs. It was observed that the mechanism of insertion of $C_{60}$ into MWCNTs may be due to the capillary suction at the opening ends of MWCNTs.

Study of Nano-scale Fullerene (C60) Clusters Formed in Micro-sized Droplet by UV Irradiation

  • Yeo, Seung-Jun;Ahn, Jeung-Sun
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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    • pp.571-571
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    • 2012
  • We discovered the formation of C60 aggregates in solution by means of photoluminescence spectroscopic study on C60 in solutions. From the in-depth investigation of temperature dependence of the luminescence of C60 in toluene, benzene and CS2 solutions, we reported that the C60 aggregates are formed during cooling at the freezing temperature of these solvents. Furthermore, the C60 aggregates can be changed to stable structures by irradiating with UV pulse-laser (Nd:YAG laser, 355nm). As a consequence, we could obtain nano-scale photo-polymerized C60 clusters, which appear as round-shaped nano- scale particles in high resolution transmission electron-microscopy (HRTEM) images. However, the yield of the nano-scale C60 clusters obtained by this method is too small. So we designed and developed a system to obtain C60 cluster of macroscopic quantity by using ultrasonic nebulizer. In this system, C60 solution was vaporized to several micro-sized droplets in vacuum, resulting in the formation of C60 aggregates by evaporating solvent (toluene). The system was invented to produce nano-scale carbon clusters by the irradiation of UV light upon C60 aggregates in vacuum. We have characterized the products, C60 cluster, obtained from the system by using UV absorption spectra and HPLC spectra. Although the products have a possibility of inclusion various forms of C60 cluster, results support that the product formed from the system by using vaporizer method establishes a new method to obtain C60 cluster in macroscopic quantity. In the presentation, the details of the system and the results of characterization are reported.

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2-TNATA:C60 정공 주입층을 이용한 유기발광다이오드의 성능 향상 연구 (Enhanced Efficiency of Organic Electroluminescence Diode Using 2-TNATA:C60 Hole Injection Layer)

  • 박소현;강도순;박대원;최영선
    • 폴리머
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    • 제32권4호
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    • pp.372-376
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    • 2008
  • 유기발광소자(OLED)에서 정공 주입층으로 사용되는 4,4',4"-tris(N-(2-naphthyl)-N-phenylamino)-triphenylamine(2-TNATA)가 전극으로 사용되는 ITO(indium tin oxide)와 홀 수송층(hole transport layer, HTL)사이에 박막으로 진공 증착되었다. 공증착에 의해 C60이 약 20 wt% 도핑된 2-TNATA:C60 층을 제조하였으며, AFM과 XRD를 이용하여 2-TNATA:C60 박막의 분자 배향성 및 토폴로지를 관찰하였다. 또한, 다층 소자의 J-V, L-V 및 전류 효율 특성이 고찰되었다. C60은 분자 배향성을 가지고 있으나, 2-TNATA:C60 박막은 C60 분자의 균일한 분산에 의해 분자 배향성이 확인되지 않았다. C60의 도핑에 의해서 2-TNATA 박막이 더욱 조밀해지고 균일해지는 것을 확인하였으며, 이로 인하며 박막 내의 전류 밀도가 증가됨을 확인하였다. 2-TNATA:C60 하이브리드 박막을 이용하여 ITO/2-TNATA:C60/NPD/$Alq_3$/LiF/Al 다층 소자를 제조하였을 때 소자의 휘도가 향상되었으며 소자 효율도 약 4.7에서 약 6.7 cd/A로 증가하였다.

Lattice Deformation and Electronic Structure of the $C_{60}{^+}$ Cation

  • 이기학;이한명;전희자;박성수;이왕로;Park, T. Y.;Xin Sun
    • Bulletin of the Korean Chemical Society
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    • 제17권5호
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    • pp.452-457
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    • 1996
  • The effects caused by the ionization on the electronic structure and geometry on C60 are studied by the modified Su-Schriffer-Heeger (SSH) model Hamiltonian. After the ionization of C60, the bond structure of the singly charged C60 cation is deformed from Ih symmetry of the neutral C60 to D5d, C1, and C2, which is dependent upon the change of the electron-phonon coupling strength. The electronic structure of the C60+ cation ground state undergoes Jahn-Teller distortion in the weak electron-phonon coupling region, while self-localized states occur in the intermediate electron-phonon region, but delocalized electronic states appear again in the strong electron-phonon region. In the realistic strength of the electron-phonon coupling in C60, the bond structure of C60+ shows the layer structure of the bond distortion and a polaron-like state is formed.

C60 및 Si 초미립자 박막의 Laser 반응에 의한 가시광선발광 (Visible light emission from $C_60$ and Si nanoparticle film by laser process)

  • 김민성
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2000년도 추계학술대회 논문집
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    • pp.598-601
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    • 2000
  • We investigated the fabrication of Si nanoparticle and $C_{60}$ thin films by pulsed laser ablation. As a result, we observed visible green photoluminescence spectra in the Si/C$_{60}$ multilayer films after laser annealing. It is considered that this green photoluminescence is occurred from SiC particles, which is produced reaction of Si nanoparticles with $C_{60}$ via laser annealing.ing.

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Preparation of C60 Nanowhiskers/WO3 Nanocomposites and Photocatalytic Degradation of Organic Dyes

  • Kim, Keun Hyung;Ko, Jeong Won;Ko, Weon Bae
    • Elastomers and Composites
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    • 제50권2호
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    • pp.126-131
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    • 2015
  • $C_{60}$ nanowhiskers were synthesized from $C_{60}$ by liquid-liquid interfacial precipitation (LLIP) using $C_{60}$-saturated toluene and isopropyl alcohol. The $WO_3$ nanoparticles were synthesized by adding $3.8{\times}10^{-4}$ mole amount of ammonium metatungstate hydrate ($H_{26}N_6O_{40}W_{12}{\cdot}H_2O$) to 500 ml of distilled water, and the resulting solution was heated on a hot plate for 4 h. The $C_{60}$ nanowhiskers/$WO_3$ nanocomposites were prepared with $C_{60}$ nanowhiskers and $WO_3$ nanoparticles in an electric furnace at $700^{\circ}C$ in an argon gas atmosphere for 2 h. The $C_{60}$ nanowhiskers/$WO_3$ nanocomposites were characterized by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. UV-vis spectroscopy was used to evaluate the performance of the $C_{60}$ nanowhiskers/$WO_3$ nanocomposites as a photocatalyst in the degradation of organic dyes, such as methylene blue (MB) and brilliant green (BG) under ultraviolet light (254 nm).

초음파 조건에서 산화제를 이용한 풀러렌 산화물의 제조 (Preparation of Fullerene Oxides by Fullerenes[$C_{60},C_{70}$] with Several Oxidants under Ultrasonic Condition)

  • 권석찬;정홍석;고원배
    • Elastomers and Composites
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    • 제38권2호
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    • pp.147-156
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    • 2003
  • 풀러렌[$C_{60},\;C_{70}$]을 benzoylperoxide, trichloroisocyanuric acid, methyltrioxorhenium(VII), iodosobenzene 그리고 phosphorous pentoxide 등의 산화제를 사용하여 상온, 초음파 조건에서 풀러렌 산화물을 제조하였다. MALDI-TOF MS, UV-VIS 그리고 HPLC를 사용하여 분석한 결과 생성된 풀러렌 산화물은 [$C_{60}(O)_n$], ($n=1{\sim}3$ 또는 n=1)과 [$C_{70}(O)_n$], ($n=1{\sim}2$ 또는 n=1)임을 알 수 있었다. 한편, 동일한 실험 조건에서 $C_{60}$ 반응속도는 $C_{70}$ 보다 높았다.