• Bulletin of the Korean Chemical Society
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• 제26권12호
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• pp.1953-1961
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• 2005

We have performed high-level quantum mechanical calculation for multiple proton transfer in HOCl + HCl and $H_2O$ + $ClONO_2$ on water clusters, which can be used as a model of the reactions on ice surface in stratospheric clouds. Multiple proton transfer on ice surface plays crucial role in these reactions. The structures of the clusters with 0-3 water molecules and the transition state structures for the multiple proton transfer have been calculated. The energies and barrier heights of the proton transfer were calculated at various levels of theory including multi-coefficient correlated quantum mechanical methods (MCCM) that have recently been developed. The transition state structures and the predicted reaction mechanism depend very much on the level of theory. In particular, the HF level can not correctly predict the TS structure and barrier heights, so the electron correlation should be considered appropriately.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2004년도 Asia Display / IMID 04
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• pp.59-62
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• 2004

We investigated the effect of Xe content variation on the luminous efficiency of two different sub-pixel types, i.e., segmented electrode in delta color arrayed enclosed sub-pixel (SDE) and conventional stripe barrier type, in an ac plasma display panel through three-dimensional numerical simulations. The conventional cell type was found to have higher VUV generation efficiency as compared with that of SDE structure, but as the Xe content increased, the SDE type showed higher improvements in efficiency due to the lower plasma loss to the barrier walls.

• Transactions on Electrical and Electronic Materials
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• 제15권6호
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• pp.324-327
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• 2014

Germanium (Ge) is a promising material for next generation nanoelectronics and multiple junction solar cells. This work investigated the electrical properties in Cu/p-type Ge Schottky diodes, using current-voltage (I-V) measurements. The Schottky barrier heights were 0.66, 0.59, and 0.70 eV from the forward ln(I)-V, Cheung, and Norde methods, respectively. The ideality factors were 1.92 and 1.78 from the forward ln(I)-V method and Cheung method, respectively. Such high ideality factor could be associated with the presence of an interfacial layer and interface states at the Cu/p-Ge interface. The reverse-biased current transport was dominated by the Poole-Frenkel emission rather than the Schottky emission.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2006년도 6th International Meeting on Information Display
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• pp.938-941
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• 2006

It is suggested that the bismate glass system is one of alternatives to the lead glass for barrier-ribs in PDP. Moreover it is necessary to investigate the resultant change in properties with addition of ceramic fillers. Glass frit was selected to be a $Bi_2O_3-ZnO-B_2O_3-Al_2O_3$ and two fillers, ZnO and $Al_2O_3$ were added into a glass matrix with the different content. We investigated thermal, chemical properties of bismate glass system with two different fillers. We confirmed that addition of fillers effects properties of composites such as the thermal expansion coefficient, etching mechanism.

• 전기학회논문지
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• 제56권12호
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• pp.2166-2172
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• 2007

In this study a low-signal equivalent circuit based on the Double Schottky Barrier model is proposed for ZnO-based varistor. Since pin-lead inductance and stray capacitance are considered in pin-lead type ZnO varistor these inductance and capacitance could be removed from the experimental dielectric data of the varistor. According to the equivalent circuit simulation results the higher the varistor-voltage of varistor sample the capacitance of dielectric layer is larger, and the capacitances of semiconducting layer and depletion layer are smaller, while the parallel resistances of semiconducting layer and depletion layer are more larger values. Spectra of the dielectric loss factor $tan{\delta}$ show 2 peaks in low frequency and high frequency regions respectively. The low-frequency peak is due to the relaxation by deep donors and the high-frequency peak is due to the relaxation by shallow donors. Above results are well consistent with the theoretical mechanism of ZnO varistor.

• 한국표면공학회지
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• 제43권5호
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• pp.248-254
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• 2010

Porous $Al_2O_3$ film can be utilized as template for fabrication of nano-structured materials. Porous anodic alumina layer as template was prepared by anodization of aluminum in oxalic acid, and the pore diameter and barrier-type alumina layer can be controlled for proper anodizing parameter by widening process in $H_3PO_4$ solution. The $SiO_2$ nanodot and Ni nanowire was fabricated using anodic alumina template and their characteristics were investigated using SEM and TEM with EDS. Especially the growth mechanism of $SiO_2$ nanodot in alumina membrane compared with thinning of the alumina barrier layer during anodization was also investigated.

• Bulletin of the Korean Chemical Society
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• 제29권2호
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• pp.319-322
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• 2008

The viability of acetylene addition in each step of aromatic formation initiated by vinyl radical and acetylene also with its competition with structure rearrangement is investigated by determining optimal geometries and barrier and reaction energies using quantum mechanical methods. In principle, the addition reaction has more difficult in term of free energy and enthalpy compared to geometry arrangement. Under combustion conditions, i.e. T = 1200 K, acetylene addition is unfavorable mechanism as the barrier energy values rise much higher than that of geometry arrangement. However, in longer chain hydrocarbon case, e.g. n-CxHx+1 where x ³ 8, C-C bond rotation is rather difficult and requires high energy to form a ring structure, elongation chain is preferable.

• Journal of Pharmaceutical Investigation
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• 제23권1호
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• pp.1-9
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• 1993

The endothelial cell of brain capillary called the blood-brain barrier (BBB) has carrier-mediated transport systems for nutrients and drugs. The mechanism of the BBB transport of basic and acidic drugs has been reviewed and examined for endogenous transport systems in BBB in WKY and SHRSP. Acidic drugs such as salicylic acid and basic drugs such as eperisone are taken up in a carrier mediated manner through the BBB via the monocarboxylic acid and amine transport systems. The specific dysfunction for the choline transport at the BBB in SHRSP would affect the function of the brain endothelial cell and brain parenchymal cell. The utilization of the endogenous transport systems of monocarboxylic acid and amine could be promising strategy for the effective drug delivery to the brain.

• Bulletin of the Korean Chemical Society
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• 제16권12호
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• pp.1203-1208
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• 1995

Theoretical studies of the effect of the nonleaving group (RY) on the breakdown mechanism of the tetrahedral anionic intermediate, T-, formed by the addition of a less basic phenoxide nucleophile (X) to phenyl benzoates with a more basic phenoxide leaving group (Z) have been carried out using the PM3 MO method. The identity acyl transfer reactions (X=Z) are facilitated by an electron-withdrawing RY whereas they are inhibited by an electron-donating RY group. The results of non-identity acyl transfer reactions indicate that a more electron-donating RY group leads to a greater lowering of the higher barrier, TS2, with a greater degree of bond cleavage, and a greater negative charge development on the phenoxide oxygen atom, whereas the opposite is true for a more electron-withdrawing RY group, i.e., leads to a greater lowering of the lower barrier, TS1. The results provide theoretical basis for the signs of ρXY(>0) and ρYZ(<0) observations.

• 반도체디스플레이기술학회지
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• 제16권4호
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• pp.1-4
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• 2017

Encapsulation of organic based devices is essential issue due to easy deterioration of organic material by water vapor. Atomic layer deposition (ALD) is a promising solution because of its low temperature deposition and quality of the deposited film. Moisture permeation has a mechanism to pass through defects, Thin Film Encapsulation using inorganic / organic / inorganic hybrid film has been used as promising technology. $Al_2O_3$ / Polymer / $Al_2O_3$ multilayer film has shown excellent environmental protection characteristics despite of thin thicknesses of the films.