• 한국윤활학회:학술대회논문집
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• 한국윤활학회 2002년도 proceedings of the second asia international conference on tribology
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• pp.165-166
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• 2002

Hydrogen free diamond like carbon (DLC) films were prepared on steel substrates by using a single ion beam in a configuration that allowed sputtering of a graphite target and at the same time allowed to impact the substrate at a grazing angle. The DLC films so prepared have improved properties with increased disorder and with modest hardness that is slightly higher than previously reported values. We have studied the effects of $N_2^+$ ions implantation on such films. It is found that the implantations of nitrogen ions into DLC films lead to chemical modifications that allowed N atoms to be incorporated into the carbon network to produce a nitrogenated DLC. Nano-indentation experiments indicated that the nitrogenated films have consistently higher hardnesses ranging from 30 to 45GPa, which represents a considerable increase in surface hardness, compared with non-nitrogenated precursor films. The investigations by XPS and Raman spectroscopy suggests that the $N_2^+$ implanted DLCs had undergone both chemical and structural modifications through the incorporation of N atoms and the increased ratio of $sp^3/sp^2$ type bonding. The observed high hardness was therefore attributable to these structural and chemical modifications. This result has implication for the preparation of super hard wear resistant films required for tribological functions in devices.

• Bulletin of the Korean Chemical Society
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• 제27권9호
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• pp.1289-1292
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• 2006

Potassium(I) with 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate (L) assembles to K($H_2O$)L (L = 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate). It was characterized by single-crystal X-ray diffraction, element analysis, IR and $^1H$ NMR spectroscopy. It crystallizes in the monoclinic space group $P2_1$/n and reveals a seven-coordinate complex. Polyhedra potassium chains, C-H${\cdot}{\cdot}{\cdot}\pi$ and C-H${\cdot}{\cdot}{\cdot}$O and O-H${\cdot}{\cdot}{\cdot}$O hydrogen bonds lead K($H_2O$)L to a three-dimensional network structure. The biological activity of resistance to hypoxia was tested, and the results showed that the biological activity of resistance to hypoxia of K($H_2O$)L is as good as that of its precursor, irisolidone.

• Transactions on Electrical and Electronic Materials
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• 제10권4호
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• pp.135-139
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• 2009

$H_2S$ micro-gas sensors have been developed employing $SnO_2$:CuO composite thin films. The films were prepared by e-beam evaporation of Sn and Cu metals on silicon substrates, followed by oxidation at high temperatures. Results of various studies, such as scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) reveal that $SnO_2$ and CuO are mutually non-reactive. The CuO grains, which in turn reside in the inter-granular regions of $SnO_2$, inhibit grain growth of $SnO_2$ as well as forming a network of p-n junctions. The film showed more than a 90% relative resistance change when exposed to $H_2S$ gas at 1 ppm in air at an operating temperature of $350^{\circ}C$ and had a short response time of 8 sec.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2009년도 춘계학술대회 논문집
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• pp.731-734
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• 2009

KIER has been developed a compact and highly efficient fuel processor which is one of the key component of the residential PEM fuel cells system. The fuel processor uses methane steam reforming to convert natural gas to a mixture of water, hydrogen, carbon dioxide, carbon monoxide and unreacted methane. Then carbon monoxide is converted to carbon dioxide in water-gas-shift reactor and preferential oxidation reactor. A start-up time of the fuel processor is about 1h and CO concentration among the final product is maintained less than 5 vol. ppm. To achieve high thermal efficiency of 80% on a LHV basis, an optimal thermal network was designed. Internal heat exchange of the fuel processor is so efficient that the temperature of the reformed gas and the flue gas at the exit of the fuel processor remains less than $100^{\circ}C$. A compact design considering a mixing and distribution of the feed was applied to reduce the reactor volume. The current volume of the fuel processor is 17L with insulation.

• 센서학회지
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• 제17권2호
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• pp.143-146
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• 2008

Polymer-coated film SAW sensors have been fabricated and their sensing properties for toxic chemicals have been extensively investigated. Four types of the toxic chemical compounds of hydrogen cyanide(AC), carbonyl dichloride(CG), pinacolyl methylfluorophosphonate(GD), 2,2'-dichlorodiethylthio ether(HD) were used as target gases. SAW sensors using five different kinds of polymers were used to detect toxic chemicals and their gas sensing characteristics were investigated. The polymers used as the sensing materials were polyisobutylene(PIB), polyepichlorohydrin(PECH), polydimethylsiloxane(PDMS), polybutadiene(PBD) and polyisoprene(PIP). The recommendable mixing ratio of PIB, PECH, PDMS, PBD and PIP to solvents were 1:30, 1:40, 1:10, 1:30 and 1:30, respectively. The sensing characteristics of the SAW sensors were measured by using E-5061A network analyzer.

• 대한화학회지
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• 제7권4호
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• pp.293-298
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• 1963

The crystal structure of ethylenediamine dihydrochloride has been determined by the two-dimensional Patterson methods and refined by two-dimensional Fourier syntheses. The unit cell dimensions are a = 4.44${\pm}$0.02, b = 6.88${\pm}$0.02, c = 9.97${\pm}$0.02 ${\AA}$, ${\beta}$ = 92${\pm}$$1^{\circ}$. The space group is $P2_1_{/c}$. The carbon and nitrogen atoms in the ethylenediamine itself lie on one plane and its structure has a trans-form with a centre of symmetry in it, and C-C distance of 1.54 ${\AA}$, C-N distance of 1.48${\AA}$ and C-C-N bond angle of $109.07^{\circ}$. The molecules are linked by N-H${\cdots}$Cl hydrogen bonds with distance of 3.14, 3.16 and 3.22 ${\AA}$ forming three dimensional network. The values of reliability factor for F(okl), F(hol) and F(hko) are 0.11, 0.10 and 0.09 respectively.

• 한국표면공학회:학술대회논문집
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• 한국표면공학회 2017년도 춘계학술대회 논문집
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• pp.126-126
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• 2017

Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

• 한국재료학회지
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• 제28권5호
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• pp.308-314
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• 2018

Among the fuel cell electrolyte candidates in the intermediate temperature range, glass materials show stable physical properties and are also expected to have higher ion conductivity than crystalline materials. In particular, phosphate glass has a high mobility of protons since such a structure maintains a hydrogen bond network that leads to high proton conductivity. Recently, defects like volatilization of phosphorus and destruction of the bonding structure have remarkably improved with introduction of cations, such as Zr4+ and Nb5+, into phosphate. In particular, niobium has proton conductivity on the surface because of higher surface acidity. It can also retain phosphorus content during heat treatment and improve chemical stability by bonding with phosphorus. In this study, we fabricate niobium phosphate glass thin films through sol-gel processing, and we report the chemical stability and electrical properties. The existence of the hydroxyl group in the phosphate is confirmed and found to be preserved at the intermediate temperature region of $150-450^{\circ}C$.

• Bulletin of the Korean Chemical Society
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• 제35권1호
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• pp.182-188
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• 2014

Three new transition metal complexes based on Ozagrel $[Cu(Ozagrel)]_n$ (1), $[Zn(Ozagrel)(Cl)]_n$ (2), ${[Mn_2-(Ozagrel)(1,4-ndc)_2]{\cdot}(H_2O)}_n$ (3), (Ozagrel = 3-(4-((1H-imidazol-1-yl)methyl)phenyl)acrylic acid; 1,4-ndc = 1,4-Naphthalenedicarboxylic acid) have been hydrothermally synthesized and characterized by elemental analyse, IR, TG, PXRD, electrochemical analysis and single crystal X-ray diffraction. X-ray structure analysis reveals that 1 and 3 are 3D coordination polymers, while complex 2 is a two-dimensional network polymer, the 2D layers are further packed into 3D supramolecular architectures that are connected through hydrogen bonds. The electrochemistry of 1-3 was studied by cyclic voltammetry in methanol and water using a glassy carbon working electrode. Also, thermal decomposition process and powder X-ray diffraction of complexes were investigated.

• Bulletin of the Korean Chemical Society
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• 제26권1호
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• pp.139-145
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• 2005

Artificial neural networks (ANNs), for a first time, were successfully developed for the modeling and prediction of solvent effects on rate constant of [2+2] cycloaddition reaction of diethyl azodicarboxylate with ethyl vinyl ether in various solvents with diverse chemical structures using quantitative structure-activity relationship. The most positive charge of hydrogen atom (q$^+$), dipole moment ($\mu$), the Hildebrand solubility parameter (${\delta}_H^2$) and total charges in molecule (q$_t$) are inputs and output of ANN is log k$_2$ . For evaluation of the predictive power of the generated ANN, the optimized network with 68 various solvents as training set was used to predict log k$_2$ of the reaction in 16 solvents in the prediction set. The results obtained using ANN was compared with the experimental values as well as with those obtained using multi-parameter linear regression (MLR) model and showed superiority of the ANN model over the regression model. Mean square error (MSE) of 0.0806 for the prediction set by MLR model should be compared with the value of 0.0275 for ANN model. These improvements are due to the fact that the reaction rate constant shows non-linear correlations with the descriptors.