• Bulletin of the Korean Chemical Society
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• v.35 no.8
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• pp.2277-2280
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• 2014

The contact properties between gold and poly(3-hexylthiophene) (P3HT) films having either of two distinct molecular orientations and orderings were investigated. Thermal treatment increased the molecular ordering of P3HT and remarkably reduced the contact resistance at the electrode/semiconductor interface, which enhanced the electrical performance. This phenomenon was understood in terms of a small degree of metal penetration into the P3HT film as a result of the thermal treatment, which formed a sharp interface at the contact interface between the gold electrode and the organic semiconductor.

• Proceedings of the KSME Conference
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• 2004.04a
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• pp.1558-1563
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• 2004

This work applies the nonequilibrium molecular dynamics simulation method to study a Lennard-Jones liquid thin film suspended in the vapor and calculates the thermal conductivity by linear response function. As a preliminary test, the thermal conductivity of pure argon fluid are calculated by nonequilibrium molecular dynamics simulation. It is found that the thermal conductivity decrease with decreasing the density. When both argon liquid and vapor phase are present, the effects of the system temperature on the thermal conductivity are investigated. It can be seen that the thermal conductivity of liquid-vapor interface is constant with increasing the temperature

• Bulletin of the Korean Chemical Society
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• v.31 no.3
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• pp.746-748
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• 2010

• Proceedings of the KSME Conference
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• 2004.11a
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• pp.1086-1091
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• 2004

The boundary layer is a very important characteristic of a liquid-vapor interface since it governs the heat and mass transfer phenomena across an interface. However, the thickness of a boundary layer is generally micro- or nano-sized, which requires highly accurate measurement devices and, consequently, costs the related experiments very high and time-consuming. Due to these size dependent limitations, the experiments related with a nano-scaled size have suffered from the errors and the reliability of the obtained data. This study is performed to grasp the characteristics of a liquid-vapor interface, by using a molecular dynamics method. The simulation results were compared with other studies if possible. Although other studies reported that there existed a temperature discontinuity over an interface when the system was reduced to micro- or nano-sized, we confirmed that there was no such a temperature discontinuity.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.557-557
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• 2012

Silicatein-${\alpha}$, the enzyme extracted from silica spicules in glass sponges, has been studied extensively in the way of chemistry from 1999, in which the pioneering work by Morse, D. E. - the discovery of the enzymatic hydrolysis in Silicatein-${\alpha}$ - was published. Since its reaction conditions are physiologically favored, synthesis of various materials, such as gallium oxide, zirconium oxide, and silicon oxide, was achieved without any hazardous wastes. Although some groups synthesized oxide films and particles, they have not achieved yet controlled morphogenesis in the reaction conditions mentioned above. With the knowledge of catalytic triad involved in hydrolysis of silicone alkoxide and oligomerization of silicic acid, we designed the novel peptide amphiphiles to not only form self-assembled structure, but also display similar activities to silicatein-${\alpha}$. Designed templates were able to self-assemble into left-handed helices for the peptide amphiphiles with L-form amino acid, catalyzing polycondensation of silicic acids onto the surface of them. It led to the formation of silica helices with 30-50 nm diameters. These results were characterized by various techniques, including SEM, TEM, and STEM. Given the situation that nano-bio-technology, the bio-applicable technology in nanometer scale, has been attracting considerable attention; this result could be applied to the latest applications in biotechnology, such as biosensors, lab-on-a-chip, biocompatible nanodevices.

• 한국정보디스플레이학회:학술대회논문집
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• 2007.08b
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• pp.1199-1202
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• 2007

The improvement of the electron injection is of critical importance for obtaining efficient and stable organic light-emitting diodes(OLEDs). Here, we report some of our recent results on the development of new cathode interlayer materials for OLEDs. Some of our new materials show performance superior to that of LiF.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.197-197
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• 2011

In this study, in contrast with cases in which Scanning Tunneling Microscopy (STM) tip-induced reactions were instigated by the tunneling electrons, the local electric field, or the mechanical force between a tip and a surface, we found that the tungsten oxide (WO3) covered tungsten (W) tip of a STM acted as a chemical catalyst for the S-H dissociative adsorption of phenylthiol and 1-octanethiol onto a Ge(100) surface. By varying the distance between the tip and the surface, the degree of the tip-catalyzed adsorption could be controlled. We have found that the thiol head-group is the critical functional group for this catalysis and the catalytic material is the WO3 layer of the tip. After removing the WO3 layer by field emission treatment, the catalytic activity of the tip has been lost. 3-mercapto isobutyric acid is a chiral bi-functional molecule which has two functional groups, carboxylic acid group and thiol group, at each end. 3-Mercapto Isobutyric Acid adsorbs at Ge(100) surface only through carboxylic acid group at room temperature and this adsorption was enhanced by the tunneling electrons between a STM tip and the surface. Using this enhancement, it is possible to make thiol group-terminated surface where we desire. On the other hand, surprisingly, the WO3 covered W tip of STM was found to act as a chemical catalyst to catalyze the adsorption of 3-mercapto isobutyric acid through thiol group at Ge(100) surface. Using this catalysis, it is possible to make carboxylic acid group-terminated surface where we want. This functional group-selective adsorption of bi-functional molecule using the catalysis may be used in positive lithographic methods to produce semiconductor substrate which is terminated by desired functional groups.

• Journal of the Korea Computer Graphics Society
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• v.18 no.3
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• pp.1-7
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• 2012

In this paper, we propose a method to compute the interface between protein molecules. When a molecules is represented as a set of spheres with van der Waals radii, the distance from a spatial point p to the molecule corresponds to the distance from p to the closet sphere. The molecular interface is composed of equi-distant points from two molecules. Our algorithm decomposes the space into a set of voxels, and then constructs a voxel map by storing the information of spheres intersecting each voxel. By using the voxel map, we compute the distance between a point and the molecule. We also use GPU for the parallel processing, and efficiently approximate the interface of a pair of molecules.

• Journal of the Korean Society of Clothing and Textiles
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• v.24 no.7
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• pp.1065-1072
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• 2000

The molecular areas and the interfacial tension behavior of ten nonionic surfactants, i.e., Span 20 and Tween 20, 40, 60. 80, 21, 61, 81, 65, & 85 are tested to assay their effects on the wetting and liquid retention properties of hydrophilic and hydrophobic fibrous materials. The molecular areas at water/air interface are derived from Gibbs’adsorption equations. The following conclusions are drawn from the results: 1) Span 20 is efficient in lowering the interfacial tension and effective in adsorption at the water/air interface, resulting in the low interfacial tension at critical micelle concentration (${\gamma}$$_{CMC}$) and a small molecular area($\omega$), 2) when the hydrophiles of the surfactants are constant, $\omega$’s increase as hydrophobe carbon numbers of the surfactants increase, 3) when the hydrophobes are constant, ${\gamma}$$_{CMC}$’s and $\omega$’s increase as the hydrophile ethylene oxide units increase, indicating effectiveness and efficiency is parallel in this case, 4) the ethylene oxide unit length as a hydrophile has greater influence on u than the hydrophobe chain length.han the hydrophobe chain length.gth.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2005.11a
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• pp.95-96
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• 2005

The general method and mechanism for the polarity control of heteroepitaxial wurtzite films, such as ZnO and GaN, by interface engineering via plasma-assisted molecular beam epitaxy are addressed. We proposed the principle and method controlling the crystal polarity of ZnO on GaN and GaN on ZnO. The crystal polarity of the lower film was maintained by forming a heterointerfce without any interface layer between the upper and the lower layers. However the crystal polarity could be changed by forming the heterointerface with the interface layer having an inversion center. The principle and method suggested here give us a promising tool to fabricate polarity inverted heterostructures, which applicable to invent novel heterostructures and devices.