• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.24-25
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• 2011

Molecular self-assembly has several advantages over other nanofabrication methods. Molecular building blocks ensure ultrafine pattern precision, parallel structure formation allows for mass production and a variety of three-dimensional structures are available for fabricating complex structures. Nevertheless, the molecular interaction for self-assembly generally relies on weak forces such as van der Waals force, hydrogen bonding, or hydrophobic interaction. Due to the weak interaction, the structure formation is usually slow and the degree of ordering is low in a self-assembled structure. To promote self-assembly, directed assembly methods employing prepatterned substrates or external fields have been developed and gathered a great deal of technological attention as a next generation nanofabrication process. In this presentation a variety of directed assembly methods for soft nanomaterials including block copolymers, peptides and carbon nanomaterials will be introduced. Block copolymers are representative self-assembling materials extensively utilized in nanofabrication. In contrast to colloid assembly or anodized metal oxides, various shapes of nanostructures, including lines or interconnected networks, can be generated with a precise tunability over their shape and size. Applying prepatterned substrates$^{1,2}$ or introducing thickness modulation$^3$ to block copolymer thin films allowed for the control over the orientational and positional orderings of self-assembled structures. The nanofabrication processes for metals, semiconductors$^4$, carbon nanotubes$^{5,6}$, and graphene$^{6,7}$ templating block copolymer self-assembly will be presented.

• Journal of the Korean Chemical Society
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• v.38 no.8
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• pp.562-569
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• 1994

The retention data of twenty one monosubstituted phenols in the eluent systems containing 30∼70% of methanol or acetonitrile as organic modifiers, on $ C_{18}$ and Phenyl columns were collected to investigate the effect of the substituted groups on the retention of phenols. The capacity factors of the solutes except amino phenols are greater on $ C_{18}$ than on Phenyl column. And all the solutes have shown greater capacity factors in methanol-water than that in acetonitrile-water as a mobile phase. Generally the elution order between meta and para isomers of monosubstituted phenols in consistent (p < m) regardless of the polarity of the substituted group. But the elution order between ortho and meta isomers of phenol varies with regard to the polarity of the substituted group. The retention of the monosubstituted phenols has been influenced by the interaction between the solute and unreacted silanol of columns as well as the interaction between the solute and $ C_{18}$ or phenyl group of columns. And then, the effect of unreacted silanol on the retention of the monosubstituted phenols is greater on $ C_{18}$ than on Phenyl column. And the greater hydrogen bonding acceptor basicity(${\beta}$) of the substituted group is, the greater this effect is. The relationship between the retention of the monosubstituted phenols and their parameters such as van der Waals volume(VWV) and hydrogen bonding acceptor basicity(${\beta}$) has been investigated. The good linearity has been observed in the plot log k' vs. (1.01VWV/100-1.84${\beta}$). In consequence, the retention of the monosubstituted phenols on $ C_{18}$ and Phenyl columns can be easily predicted by the parameter (1.01VWV/100-1.84${\beta}$).

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2454-2458
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• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2247-2254
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• 2010

The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.

• Carbon letters
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• v.20
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• pp.53-61
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• 2016

The reportedly synergistic effects of carbon nanotubes (CNTs) and graphene hybrids have prompted strong demand for an efficient modifier to enhance their dispersion. Here, we investigated the ability of poly(acrylonitrile) (PAN) to overcome the van der Waals interaction of multi-walled CNTs (MWCNTs) and graphene by employing a simple wrapping process involving ultrasonication and subsequent centrifugation of PAN/MWCNT/graphene solutions. The physical wrapping of MWCNTs and graphene with PAN was investigated for various PAN concentrations, in an attempt to simplify and improve the polymer-wrapping process. Transmission electron microscopy analysis confirmed the wrapping of the MWCNTs and graphene with PAN layers. The interaction between the graphitic structure and the PAN molecules was examined using proton nuclear magnetic resonance, ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis, and Raman spectroscopy. The obtained results revealed that the cyano groups of the PAN molecules facilitated adhesion of the PAN molecules to the MWCNTs and graphene for polymer wrapping. The resulting enhanced dispersion of MWCNTs and graphene was verified from zeta potential and shelf-life measurements.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.160.1-160.1
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• 2014

Using a density functional theory calculation including van der Waals (vdW) corrections, we report that $H_2$ adsorption in a cubic-crystalline microporous metal-organic framework (MOF-5) leads to volume shrinkage, which is in contrast to the intuition that gas adsorption in a confined system (e.g., pores in a material) increases the internal pressure and then leads to volumetric expansion. This extraordinary phenomenon is closely related to the vdW interactions between MOF and $H_2$ along with the $H_2$-$H_2$ interaction, rather than the Madelung-type electrostatic interaction. At low temperatures, $H_2$ molecules adsorbed in the MOF-5 form highly symmetrical interlinked nanocages that change from a cube-like shape to a sphere-like shape with $H_2$ loading, helping to exert centrosymmetric forces and hydrostatic (volumetric) stresses from the collection of dispersive interactions. The generated internal negative stress is sufficient to overcome the stiffness of the MOF-5 which is a soft material with a low bulk modulus (15.54 GPa).

• Advances in nano research
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• v.11 no.6
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• pp.581-593
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• 2021

This model is proposed to describe the buckling behavior of Carbon Nanotubes (CNTs) embedded in an elastic medium taking into account the combined effects of the magnetic field, the temperature, the nonlocal parameter, the number of walls. Using Eringen's nonlocal elasticity theory, thin cylindrical shell theory and Van der Waal force (VdW) interactions, we develop a system of partial differential equations governing the buckling response of CNTs embedded on Winkler, Pasternak, and Kerr foundations in a thermal-magnetic environment. The pre-buckling stresses are obtained by applying airy's stress function and an adjacent equilibrium criterion. To estimate the nonlocal critical buckling load of CNTs under the simultaneous effects of the magnetic field, the temperature change, and the number of walls, an optimization technique is proposed. Furthermore, analytical formulas are developed to obtain the buckling behavior of SWCNTs embedded in an elastic medium without taking into account the effects of the nonlocal parameter. These formulas take into account VdW interactions between adjacent tubes and the effect of terms involving differences in tube radii generally neglected in the derived expressions of the critical buckling load published in the literature. Most scientific research on modeling the effects of magnetic fields is based on beam theories, this motivation pushes me to develop a cylindrical shell model for studying the effect of the magnetic field on the static behavior of CNTs. The results show that the magnetic field has significant effects on the static behavior of CNTs and can lead to slow buckling. On the other hand, thermal effects reduce the critical buckling load. The findings in this work can help us design of CNTs for various applications (e.g. structural, electrical, mechanical and biological applications) in a thermal and magnetic environment.

• Structural Engineering and Mechanics
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• v.68 no.1
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• pp.103-119
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• 2018

In the present research, an attempt is made to obtain a semi analytical solution for both nonlinear natural frequency and forced vibration of embedded functionally graded double layered nanoplates with all edges simply supported based on nonlocal strain gradient elasticity theory. The interaction of van der Waals forces between adjacent layers is included. For modeling surrounding elastic medium, the nonlinear Winkler-Pasternak foundation model is employed. The governing partial differential equations have been derived based on the Mindlin plate theory utilizing the von Karman strain-displacement relations. Subsequently, using the Galerkin method, the governing equations sets are reduced to nonlinear ordinary differential equations. The semi analytical solution of the nonlinear natural frequencies using the homotopy analysis method and the exact solution of the nonlinear forced vibration through the Harmonic Balance method are then established. The results show that the length scale parameters give nonlinearity of the hardening type in frequency response curve and the increase in material length scale parameter causes to increase in maximum response amplitude, whereas the increase in nonlocal parameter causes to decrease in maximum response amplitude. Increasing the material length scale parameter increases the width of unstable region in the frequency response curve.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.18 no.12
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• pp.1092-1100
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• 2005

We investigated a carbon nanotube (CNT) oscillator controlled by the thermal gas expansion using classical molecular dynamics simulations. When the temperature rapidly increased, the force on the CNT oscillator induced by the thermal gas expansion rapidly increased and pushed out the CNT oscillator. As the CNT oscillator extruded from the outer nanotube, the suction force on the CNT oscillator increased by the excess van der Waals(vdW) energy. When the CNT oscillator reached at the maximum extrusion point, the CNT oscillator was encapsulated into the outer nanotube by the suction force. Therefore, the CNT oscillator could be oscillated by both the gas expansion and the excess vdW interaction. As the temperature increased, the amplitude of the CNT oscillator increased. At the high temperatures, the CNT oscillator escaped from the outer nanotube, because the force on the CNT oscillator due to the thermal gas expansion was higher than the suction force due to the excess vdW energy. By the appropriate temperature controls, such as the maximum temperature, the heating rate, and the cooling rate, the CNT oscillator could be operated.

• Advances in nano research
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• v.1 no.1
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• pp.1-11
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• 2013

The thermal buckling properties of double-walled carbon nanotubes (DWCNTs) are studied using nonlocal Timoshenko beam model, including the effects of transverse shear deformation and rotary inertia. The DWCNTs are considered as two nanotube shells coupled through the van der Waals interaction between them. The geometric nonlinearity is taken into account, which arises from the mid-plane stretching. Considering the small-scale effects, the governing equilibrium equations are derived and the critical buckling temperatures under uniform temperature rise are obtained. The results show that the critical buckling temperature can be overestimated by the local beam model if the nonlocal effect is overlooked for long nanotubes. In addition, the effect of shear deformation and rotary inertia on the buckling temperature is more obvious for the higher-order modes. The investigation of the thermal buckling properties of DWCNTs may be used as a useful reference for the application and the design of nanostructures in which DWCNTs act as basic elements.