• 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.

• Journal of the Korean institute of surface engineering
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• v.37 no.2
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• pp.71-75
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• 2004

The technology of $C_{60}$ fullerite films preparation by means of gas-phase deposition and structure of fullerite films are described. A three-channel flow plant was used to obtain fullerite films. The films were deposited in the flow of inert gas under reduced pressure onto a cooled silicon or sapphire substrate placed inside the reaction chamber of the plant. The plant allows one to obtain the films of pure fullerenes and to synthesise the films from fullerene compounds and doped fullerenes. The structure of two types of films were investigated by FE-SEM and SEM techniques: pure fullerite films onto silicon and sapphire substrates as well as compound films were studied by FE-SEM technique. All samples have shown columnar structure with high level of porosity. The synthesis of films composed of fullerene and its compounds for use in electronics is demonstrated to be promising. For example, experiments confirm the possibility to use fullerite films in sensor electronics to produce humidity and thermal sensors. It is also possible to use the sensitivity of these films to isotropic pressure. The experiments with $C_{60}$-Cu-J films have shown quite strong dependence of their resistance on pressure of different sort of medium-gas that could be used in gas-sensitive sensors. The structure and preparation technology of resistive sensor based on fullerite films are described.bed.

• 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.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.645-645
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• 2013

Applying a first-principles computational approach combining density-functional theory and matrix Green's function calculations, we have studied the effects [2+2] cycloaddition olligormerization of fullerene $C_{60}$ chains on their junction charge transport properties. Analyzing first the microscopic mechanism of the switching realized in recent scanning tunneling microscope (STM) experiments, we found that, in agreement with experimental conclusions, the device characteristics are not significantly affected by the changes in electronic structure of $C_{60}$ chains. It is further predicted that the switching characteristics will sensitively depend on the STM tip metal species and the associated energy level bending direction in the $C_{60}-STM$ tip vacuum gap. Considering infinite $C_{60}$ chains, however, we confirm that unbound $C_{60}$ chains with strong orbital hybridizations and band formation should in principle induce a much higher conductance state. We demonstrate that a nanoelectromechanical approach in which the $C_{60}-STM$ tip distance is maintained at short distances can achieve a metal-independent and drastically improved switching performance based on the intrinsically better electronic connectivity in the bound $C_{60}$ chains.

• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1005-1010
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• 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.

• 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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• 2008.04a
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• pp.63-64
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• 2008

Electrokinetic motion of fullerene ($C_{60}$) particles in liquid crystal (LC) medium under an in-plane electric field has been studied for the application to the electronic paper display. Fullerenes move in the direction of applied electric field due to interaction between the induced dipole moment on $C_{60}$ and external electric field at lower threshold voltages compared to other devices such as QR-LPD (Quick Response Liquid Powder Display) and TBD (Twisting Ball Display). We also confirmed the bistability of fullerene particles in LC medium and the results showed that the 87% and 81% of original reflectance or transmittance of image was retained after 24 hours and 48 hours respectively. Our studies show the possibility that fullerenes can be used for electronic paper display.

• Advances in nano research
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• v.12 no.1
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• pp.25-35
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• 2022

Within the framework of the density functional theory combined with the method of non-equilibrium Green's functions (DFT + NEGF), the features of electron transport in fullerene nanojunctions, which are «core-shell» nanoobjects made of a combination of fullerenes of different diameters C₂₀, C₈₀, C₁₈₀, placed between gold electrodes (in a nanogap), are studied. Their transmission spectra, the density of state, current-voltage characteristics and differential conductivity are determined. It was shown that in the energy range of -0.45-0.45 eV in the transmission spectrum of the "Au-C₁₈₀-Au" nanojunction appears a HOMO-LUMO gap with a width of 0.9 eV; when small-sized fullerenes C₂₀, C₈₀ are intercalation into the cavity C₁₈₀ the gap disappears, and a series of resonant structures are observed on their spectra. It has been established that distinct Coulomb steps appear on the current-voltage characteristics of the "Au-C₁₈₀-Au" nanojunction, but on the current-voltage characteristics "Au-C₈₀@C₁₈₀-Au", "Au-(C₂₀@C₈₀)@C₁₈₀-Au" these step structures are blurred due to a decrease in Coulomb energy. An increase in the number of Coulomb features on the dI/dV spectra of core-shell fullerene nanojunctions was revealed in comparison with nanojunctions based on fullerene C₆₀, which makes it possible to create high-speed single-electron devices on their basis. Models of single-electron transistors (SET) based on fullerene nanojunctions "Au-C₁₈₀-Au", "Au-C₈₀@C₁₈₀-Au" and "Au-(C₂₀@C₈₀)@C₁₈₀-Au" are considered. Their charge stability diagrams are analyzed and it is shown that SET based on C₈₀@C₁₈₀-, (C₂₀@C₈₀)@C₁₈₀- nanojunctions is output from the Coulomb blockade mode with the lowest drain-to-source voltage.

• 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.

• Journal of Information Display
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• v.12 no.3
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• pp.145-152
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• 2011

Since the discovery of fullerenes as a class of nanostructure compounds, many potential applications have been suggested for their unusual structures and properties. The isolated pentagon rule (IPR) states that all pentagonal carbon rings are isolated in the most stable fullerene. Fullerenes $C_n$ are a class of spherical carbon allotrope group with unique properties. Electron transfer between fullerenes and other molecules is thought to involve the transfer of electrons between the molecules surrounding the fullerene cage. One class of electron transfer molecules is the methanofullerene derivatives ([6,6]-phenyl $C_{61}$-butyric acid methyl ester (PCBM), 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid methyl ester (p-EHO-PCBM), and 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid (p-EHO-PCBA), 10-12). It has been determined that $C_{60}$ does not obey IPR. Supramolecular complexes 1-9 and 10-12 are shown to possess a previously unreported host.guest interaction for electron transfer processes. The unsaturated, cis-geometry, thiocrown ethers, (1-9) (described as [X-UT-Y], where X and Y indicate the numbers of carbon and sulfur atoms, respectively), are a group of crown ethers that display interesting physiochemical properties in the light of their conformational restriction compared with a corresponding saturated system, as well as the sizes of their cavities. Topological indices have been successfully used to construct mathematical methods that relate structural data to various chemical and physical properties. To establish a good relationship between the structures of 1-9 with 10-12, a new index is introduced, ${\mu}_{cs}$. This index is the ratio of the sum of the number of carbon atoms ($n_c$) and the number of sulfur atoms ($n_s$) to the product of these two numbers for 1-9. In this study, the relationships between this index and oxidation potential ($^{ox}E_1$) of 1-9, as well as the first to third free energies of electron transfer (${\Delta}G_{et(n)}$, for n = 1-3, which is given by the Rehm-Weller equation) between 1-9 and PCBM, p-EHO-PCBM, and p-EHO-PCBA (10-12) as [X-UT-Y]@R(where R is the adduct PCBM, p-EHO-PCBM, and p-EHO-PCBA group) (13-15) supramolecular complexes are presented and investigated.