• Bulletin of the Korean Chemical Society
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• 제15권10호
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• pp.868-873
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• 1994

We have re-examined the linear solvation energy relationships in reversed phase liquid chromatography by considering various solutes including quite a number of compounds of strong hydrogen bond capability. We observed that solutes of strong hydrogen bond ability should be excluded in order to obtain resonable correlations between In k' and solute polarity parameters and that inclusion of one or two such solutes causes severe distortions of correlation results. This anomaly may be due to existence of residual silanol groups in the stationary phase, that is, their specific interactions with solutes.

• 한국수소및신에너지학회논문집
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• 제25권6호
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• pp.602-608
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• 2014

The sequence of bond overlap population of metal hydrogen binding is in Al-H > Fe-H > Zr-H > V-H. This results shows the binding energy of Al-H is the biggest in this metals (Al, Fe, Zr, and V) and hydrogen interaction. The Vanadium-hydrogen binding shows the weakest binding energy compared to other metals and it causes easy hydrogen desorption from the corresponding metals. The net charge of Al-H show the biggest value of 0.2248 and the severe localizations of electrons around aluminum and imply strongest covalent binding nature in these metals. This study is applicable to the purification of hydrogen in other bulk gas.

• 대한화학회지
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• 제59권6호
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• pp.541-544
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• 2015

• 한국수소및신에너지학회논문집
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• 제24권6호
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• pp.467-471
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• 2013

In present work, optimized the manufacturing process of anode-supported tubular SOFCs cell and stack were studied. For this purpose, we first developed a high performance tubular SOFC cell, and then made electrical connection in series to get high voltage. The gas sealing was established by attaching single cells to alumina jig with ceramic bond. Through these process, we can obtain such high OVP as around 15V, which means that the electrical connection and gas sealing were optimized. Finally we developed a new tubular SOFC stack which shows a maximum power of 65W @ $800^{\circ}C$.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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• pp.25-25
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• 2000

In this talk we discuss the dynamics of hydrogen on the Si(100)-2xl surface. At room temperature the sticking coefficient for molecular hydrogen on this surface is less than 10sup-12. However, hydrogen molecules desorbing from the surface do not have an excess of energy, suggesting at best a small barrier on the exit channel. These observations have led to speculation about the validity of detailed balance in this system. Here we show that this discrepancy can be explained by considering both the surface-molecule co-ordinate and that associated with the Si-Si dimer bond tiltangle. By preparing the surface dimers with a specific tiltangle we demonstrate that the barrier to adsorption is a function of this angle and that the sticking coefficient dramatically increase for certain angles. The adsorption-desopption dynamics can then be described in terms of a common potential energy hypersurface involving both of these co-ordinates. The implications of these observations are also discussed. The dynamics of adsorbed hydrogen atoms on the Si(100) surface is also described. Paired dangling bonds produced following recombinative hydrogen desorption are mobile at elevated temperatures. Pairs of dangling bonds are observed to dissociate, diffuse, and ultimately recombine. At sufficiently elevated temperatures dangling bond exchange reactions are observed. These data are analyzed in terms of an attractive zone and an effective binding interaction between dangling bonds. Insights that this provides into the nature of surface defects and the localized chemistry that occurs on this surface, are also discussed.

• 대한화학회지
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• 제16권3호
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• pp.135-141
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• 1972

In the past years, a number of theories have been published to elucidate the structure of liquid water. common to most of these theories is that water mainly consist of several different kinds of clusters and also hydrogen bonds in water may be bent to some degree. Recentrly, in a series of paper, Jhon and Eyring successfully explained thermodynamic, dielectric, surface and transport properites of water, assuming that it contains small domains of about 46 molecules. According to the theory, the cluster size does not change with temperature, but the cluster concentration changes. In this paper, the potential function for the hydrogen bond, the dispersion energy and dipole-dipole interaction terms. The calculated results show that the domain of nearly 46 molecules is energetically most probable, and its size is independent of temperature. And also, we evaluated the effect of angel variation of the bent hydrogen bond. In addition, the relaxation energy different for ice and water is also explained by this method.

• 대한화학회지
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• 제62권5호
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• pp.412-416
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• 2018

• Genomics & Informatics
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• 제8권2호
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• pp.70-75
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• 2010

Asp66his, Asp54Lys, and Asp50Asn are mutations in connexin 26 that are observed in the clinic and give rise to autosomal dominant syndromes. They are the result of point mutations in the human gap junction ${\beta}-2$ gene. In order to investigate the structural mechanism of Bart-Pumphrey Syndrome, Keratitis-Ichthyosis-Deafness Syndrome, and Vohwinkel Syndrome, homology modeling was carried out. Asp66 has direct contact with Asn62 by two hydrogen bonds in the wild-type protein, and in Asp66His, the biggest change observed is a tremendous energy increase caused by hydrogen bond breakage to Asn62. Shifts in the side chain and new hydrogen bond formation are observed for Lys54 compared to the wild-type protein (Asn54) and result in closer contact to Val84. Asp50Asn causes a significant decrease in bond energy, and residual charge reversal repels the ion and metabolites and, hence, inhibits their transportation. Such perturbations are likely to be a factor contributing to abnormal functioning of ion channels, resulting cell death and disease.

• Bulletin of the Korean Chemical Society
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• 제33권7호
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• pp.2238-2246
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• 2012

Molecular dynamics simulations have been performed to investigate hydrogen bonding characteristics of hydroxyl groups in glucose aqueous solutions with different concentrations. The hydrogen bonding abilities and strength of different O and H atom types have been calculated and compared. The acceptor/donor efficiencies have been predicted and it has been found that: (1) O2-HO2 and O3-HO3 are more efficient intramolecular hydrogen bonding acceptors than donors; (2) O1-HO1, O4-HO4 and O6-HO6 are more efficient intramolecular hydrogen bonding donors than acceptors; (5) O1-HO1 and O6-HO6 are more efficient intermolecular hydrogen bonding acceptors than donors while hydroxyl groups O2-HO2 and O4-HO4 are more efficient intermolecular hydrogen bonding donors than acceptors. The hydrogen bonding abilities of hydroxyl groups revealed that: (1) the hydrogen bonding ability of OH2-$H_w$ is larger than that of hydroxyl groups in glucose; (2) among the hydroxyl groups in glucose, the hydrogen bonding ability of O6-HO6 is the largest and the hydrogen bonding ability of O4-HO4 is the smallest; (3) the intermolecular hydrogen bonding ability of O6-HO6 is the largest; (4) the order for intramolecular hydrogen bonding abilities (from large to small) is O2-HO2, O1-HO1, O3-HO3, O6-HO6 and O4-HO4.

• 공업화학
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• 제10권1호
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• pp.98-104
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• 1999

본 연구에서는 ECR플라즈마 화학증착법을 이용하여 반응기내 압력의 변화에 따라 수소화된 무정형 실리콘막을 증착하고 박막내 수소의 함량과 결합구조 및 전기적 특성을 조사하였다. 일반적인 CVD에 의해 제조된 a-Si:H막은 증착속도가 증가할수록 광감도는 감소하지만 ECR플라즈마의 경우 증착속도가 증가할수록 광감도가 향상되었다. 마이크로파 출력과 사일렌/수소 희석비, 반응기내 압력등이 동일한 실험 조건에서 증착시간에 따른 막의 두께는 선형적으로 증가하고 막내에 함유된 수소의 농도는 일정하지만, 반응시간이 짧은 경우 막내에 $SiH_2$결합이 SiH결합보다 많이 형성되어 광전도도를 저하시킬 수 있다. 반응기내 압력이 증가함에 따라 박막내에 SiH결합이 증가하여 광학 에너지 갭을 줄여 광전도도를 향상시킬 수 있었으나 암전도도의 증가로 광감도는 감소하였다. 따라서 양질의 박막을 얻기 위해서는 압력이 낮고 수소기체의 양이 적은 조건에서 성장시켜야 한다.