• Proceedings of the Korean Magnestics Society Conference
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• 2013.12a
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• pp.32-32
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• 2013

Using the Vienna ab initio simulation package (VASP) incorporating van der Waals interaction, we have explored structural, adsorption, and magnetic properties of Ni(111)/BN/Co(111) systems. We have found that both Ni(111) and Co(111) layers shows half metallic state, while the spacer BN layer becomes weak metal for one monolayer (ML) thickness and an insulating barrier for two ML thickness. The half metallic states in both Ni(111) and Co(111) layers are robust because it is unchanged independently on the magnetic coupling of Ni(111) and Co(111). This finding suggests that the Ni(111)/BN/Co(111) systems can be utilized for perfect tunneling magnetoresistance system. Moreover, it can be applied for potential spin injecting into semiconductor in FM/semiconductor system due to the fact that the half metallic state in FM layers at the interface will be unchanged.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.41-48
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• 2011

The wettabilities of the partially fluorinated polymers (ethylene-tetrafluoroethylene copolymer (ETFE), ethylenechlorotrifluoroethylene copolymer (ECTFE), and poly(vinylidene fluoride) (PVDF)) were investigated by contact angle measurements. Zisman plots for ETFE and ECTFE exhibited linear relationships, while the Zisman plot for PVDF showed a slight curvature, which was interpreted to indicate strong non-dispersive interactions between the surface and the contacting liquids. The Lifshitz-van der Waals forces of the fluoropolymers were estimated to increase in the order of ETFE < PVDF $\ll$ ECTFE. An evaluation of the polar or "acid-base" interaction energies showed that PVDF, which possesses the most acidic hydrogens among the examined fluoropolymers, has the strongest acid-base interactions.

• Proceedings of the SCSK Conference
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• 2003.09b
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• pp.280-285
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• 2003

The cosmetic industry associated L-ascorbic acid (LAA) or not with its salts and esters, to be employed for fighting the cutaneous aging process. In large part, in the segment of cosmetics, the salts and esters of the LAA alone are employed more frequently than the pure LAA, since the former are chemically more stable, but result in less effective products. The present work refers to a process for stabilizing LAA in an aqueous medium, which includes the step of placed the LAA in contact with Polyvinylalcohol (PVA) through weak force like Van der Waals interaction. The PVA provides stability for LAA aqueous solution, which is stable for 106 days with a LAA content decrease only of 10% w/v.

• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.313-318
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• 2016

2차원 화합물 반도체인 Metal monochalcogenides (MMC)는 원자 4층으로 이루어진 tetralayer (TL)가 층상으로 쌓여진 구조이다. 서로 이웃한 tetralayer들이 쌓이는 방법에 따라 4가지의 stacking sequence를(${\beta}$, ${\varepsilon}$, ${\gamma}$, ${\delta}$) 고려할 수 있으며 물질에 따라 상대적인 안정성이 달라진다. GaS는 ${\beta}-type$이 가장 안정하다고 알려져 있다. 이 연구에서는 GaS의 층수를 4층까지 쌓으며, ${\beta}$와 ${\varepsilon}$의 stacking sequence의 모든 경우를 다루어 van der Waals interaction을 고려한 LCAO-DFT 제일원리 계산을 수행하였다. 그 결과를 원자구조의 변화, 에너지 안정성, 전자구조의 변화로 나누어 분석하였다. TL 층이 많을수록 TL의 thickness가 감소하고 더 높은 에너지 안정성을 나타냈다. 또한 stacking sequence를 고려하였을 때 ${\varepsilon}$ stacking을 한 결과가 더 안정한 에너지가 나왔다. 이후 ${\varepsilon}$ stacking을 하였을때의 전자구조 변화를 energy band와 projected density of states를 이용해 관찰하였다.

• Textile Coloration and Finishing
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• v.6 no.1
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• pp.1-7
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• 1994

A low-temperature dyeing system for silk fabrics based on a redox system has been investigated. Some factors affecting dyeing of silk fabrics with levelling acid dyes in the absence and presence of certain redox system were investigated under different conditions. The variables studied were; type and concentration of redox system, dyeing conditions, i. e. temperature and time, dye concentration, material-to-liquor ration(LR) and colour fastness. The colour strength(K/S value) is outstandingly higher in the presence than in the absence of redox system. A comparison between the colour strength values of such dyeings abtained the three redox system would call for the following order ; Glyoxal/hydrogen peroxide>thiourea/hydrogen peroxide>glucose/hydrgen peroxide> nothing. In the presence of redox system, free radicals are supposed to be formed in both the fiber and the dye and the interaction between these free radicals bring about covalent fixation beside the usual electrostatic bonds, hydrogen bonds and Van der Waals forces.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.11-11
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• 2010

Supramolecualr ordering has been actively studied due to it's possible applications to the fabrication processes of nano-electronic devices. Van der Waals interaction and hydrogen bonding are frequently studied mechanisms for various molecular structures based on non-uniform charge distributions. Halogen atoms in molecules can have electrostatic interactions with similar strength. Big halogen atoms have strong non-uniform charge distributions. To study molecular orderings formed by hydrogen and halogen interactions, we chose a molecular system containing oxygen, hydrogen, and bromine atoms, a bromo-quinone. A two-dimensional molecular network was studied on Au(111) using a low-temperature scanning tunneling microscope. Bromo-quinonemolecules form self-assembled square grids having windmill structures. Their molecular orderings, chiral structures, and defects are explained in terms of hydrogen and halogen interactions.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.354-354
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• 2010

Supramolecualr ordering has been actively studied due to it's possible applications to the fabrication processes of nano-electronic devices. Van der Waals interaction and hydrogen bonding are frequently studied mechanisms for various molecular structures based on non-uniform charge distributions. Halogen atoms in molecules can have electrostatic interactions with similar strength. Big halogen atoms have strong non-uniform charge distributions. To study molecular orderings formed by hydrogen and halogen interactions, we chose a molecular system containing oxygen, hydrogen, and bromine atoms, a bromo-quinone. A two-dimensional molecular network was studied on Au(111) using a low-temperature scanning tunneling microscope. Bromo-quinone molecules form self-assembled square grids having windmill structures. Their molecular orderings, chiral structures, and defects are explained in terms of hydrogen and halogen interactions.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2005.11a
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• pp.756-759
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• 2005

Dynamic force microscopy utilizes the dynamic response of a resonating probe tip as it approaches and retracts from a sample to measure the topography and material properties of a nanostructure. We present recent ideas based on proper orthogonal decomposition (POD) and detailed experiments that yield new perspectives and insight into AFM. A dynamic cantilever model with Lennrad-Jones interaction Potential which includes attractive and repulsive van der Waals demonstrates the resonable tapping mode response in time and frequency.

• Macromolecular Research
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• v.17 no.11
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• pp.829-841
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• 2009

This study introduces a specified group-contribution method for predicting the phase equilibria in polymer solutions. The method is based on a modified double lattice model developed previously. The proposed model includes a combinatorial energy contribution that is responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, a polar force and specific energy contribution. Using the group-interaction parameters obtained from data reduction, the solvent activities for a large variety of mixtures of polymers and solvents over a wide range of temperatures can be predicted with good accuracy. This method is simple but provides improved predictions compared to those of the other group contribution methods.

• BMB Reports
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• v.45 no.8
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• pp.476-481
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• 2012

Flavodoxin (Fld) has been demonstrated to bind to ferredoxin-NADP$^+$ reductase A (FprA) in Pseudomonas putida. Two residues ($Phe^{256}$, $Lys^{259}$) of FprA are likely to be important for interacting with Fld based on homology modeling. Site-directed mutagenesis and pH-dependent enzyme kinetics were performed to further examine the role of these residues. The catalytic efficiencies of FprA-$Ala^{259}$ and FprA-$Asp^{259}$ proteins were two-fold lower than those of the wild-type FprA. Homology modeling also strongly suggested that these two residues are important for electron transfer. Thermodynamic properties such as entropy, enthalpy, and heat capacity changes of FprA-$Ala^{259}$ and FprA-$Asp^{259}$ were examined by isothermal titration calorimetry. We demonstrated, for the first time, that $Phe^{256}$ and $Lys^{259}$ are critical residues for the interaction between FprA and Fld. Van der Waals interactions and hydrogen bonding were also more important than ionic interactions for forming the FprA-Fld complex.