• Interaction and multiscale mechanics
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• v.4 no.4
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• pp.247-255
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• 2011

Understanding the structural stability of carbon nanostructure under heat treatment is critical for tailoring the thermal properties of carbon-based material at small length scales. We investigate the heat resistance of the single carbon nanoball ($C_{60}$) and carbon nanoonions ($C_{20}@C_{80}$, $C_{20}@C_{80}@C_{180}$, $C_{20}@C_{80}@C_{180}C_{320}$) by performing molecular dynamics simulations. An empirical many-body potential function, Tersoff potential, for carbon is employed to calculate the interaction force among carbon atoms. Simulation results shows that carbon nanoonions are less resistive against heat treatment than single carbon nanoballs. Single carbon nanoballs such $C_{60}$ can resist heat treatment up to 5600 K, however, carbon nanoonions break down after 5100 K. This intriguing result offers insights into understanding the thermal-mechanical coupling phenomena of nanodevices and the complex process of fullerenes' formation.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.11a
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• pp.189-189
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• 2009

This work was focused on the dielectrophoretic force of fullerenes dispersed in liquid crystal host medium, which are investigated in the homogeneously aligned liquid crystal (NLC) cells driven by external electric field. A fullerene of 10 wt% was doped into the LC medium and its electric field induced motion was controlled by both in-plane and vertical electric field. When the electric field was applied, the fullerene start to move in direction of applied electric field. The dark, grey and white states in the proposed device can be obtained by suitable combination of the polarity of applied electric field. The w and l are the width and distance between the electrodes. The reflectance at different l was measured and was found to be increased with increasing l. The dynamical motions of fullerene particles in LC medium suggest that fullerene can be designed for electronic-paper like displays.

• Bulletin of the Korean Chemical Society
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• v.31 no.2
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• pp.457-460
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• 2010

The geometrical structures and energetics of positively doubly charged fullerene dimer $(C_{60})_2{^{2+}}$ conformers were studied using semiempirical PM3 and MNDO, Hartree-Fock (HF), and Hybrid B3LYP density functional methods. The shape of the HOMO-LUMO for the three conformers was also analyzed. The gauche conformer was the most stable of the three conformers. The anti conformer was more stable than the syn conformer.

• Proceedings of the IEEK Conference
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• 2004.08c
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• pp.787-791
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• 2004

We investigated field-effect ion-transport devices based on carbon nanotubes by using classical molecular dynamics simulations under applied external force fields, and we present model schematics that car be applied to the nanoscale data storage devices and unipolar ionic field-effect transistors. As the applied external force field is increased, potassium ions rapidly flow through the nanochannel. Under low external force fields, ther nal fluctuations of the nanochannels affect tunneling of the potassium ions whereas the effects of thermal fluctuations are negligible under high external force fields. Since the electric current conductivity increases when potassium ions are inserted into fullerenes or carbon nanotubes, the field effect due to the gate, which can modify the position of the potassium ions, changes the tunneling current between the drain and the source.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.757-762
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• 2003

Since theoretical investigations of gas phase clusters enable the evaluation of intrinsic molecular properties and intermolecular interactions, one can predict the macroscopic properties of bulk matter, from a microscopic determination of the properties of individual atoms, molecules, or clusters. Based on the insights obtained from theoretical investigations of the properties of a large number of cluster systems (ranging from simple water clusters to large π-systems), we have investigated the properties of various novel molecular systems including endo/exohedral fullerenes, nanotori, nonlinear optical materials, ionophores/receptors, polypeptides, enzymes, organic nanotubes, nanowires, and electronic and nano-mechanical molecular devices. The present minireview highlights some of the interesting results obtained in the course of our extensive theoretical investigations of clusters and nanomaterials.

• 한국신재생에너지학회:학술대회논문집
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• 2007.06a
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• pp.240-240
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• 2007

• Carbon letters
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• v.11 no.2
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• pp.127-130
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• 2010

Boron doped fullerene $C_{60}$ ($B:C_{60}$) films were prepared by the thermal evaporation of $C_{60}$ powder using argon plasma treatment. The morphology and structural characteristics of the thin films were investigated by scanning electron microscope (SEM), Fourier transform infra-red spectroscopy (FTIR) and x-ray photo electron spectroscopy (XPS). The electrochemical application of the boron doped fullerene film as a coating layer for silicon anodes in lithium ion batteries was also investigated. Cyclic voltammetry (CV) measurements were applied to the $B:C_{60}$ coated silicon electrodes at a scan rate of $0.05\;mVs^{-1}$. The CV results show that the $B:C_{60}$ coating layer act as a passivation layer with respect to the insertion and extraction of lithium ions into the silicon film electrode.

• Carbon letters
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• v.4 no.4
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• pp.175-179
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• 2003

It is well established that halogenated fullerene derivatives act as synthetic intermediates for further substitution via replacement with nucleophlies. In the present work, systematic studies were carried out on the synthesis of bromofullerenes under different experimental conditions. The effect of reaction time on the product formed was observed. We observed the formation of new compound of bromofullerenes in a different stoichiometric ratio i.e., $C_{60}Br_{14}$; in addition to previous reported bromofullerenes in the stoichiometric ratio of $C_{60}Br_6$, $C_{60}Br_8$, and $C_{60}Br_{24}$. The new derivative of bromofullerene was isolated and well characterized by various analytical techniques like FT-IR, TGA, DSC, and elemental analysis. In this paper, detail of the synthesis and characterization of the bromofullerene prepared are described. The yields obtained were better than those reported previously.

• Carbon letters
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• v.11 no.1
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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.

• Carbon letters
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• v.15 no.4
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• pp.219-237
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• 2014

The element carbon has been used as a source of energy for the past few hundred years, and now in this era of technology, carbon has played a significant and very prominent role in almost all fields of science and technology. So as an honour to this marvellous element, we humans should know about its various forms of existence. In this review article, we shed light on all possible carbon-allotropes; similarities in their synthesis techniques and the starting materials; their wide range of possible availability; and finally, future perspectives and applications. A brief introduction is given on the types, structures, and shapes of the allotropes of carbon for a better understanding.