• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.400-404
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• 2015

2차원 물질인 metal mono chalcogenides(MMC) 중 GaS와 GaSe를 대상으로 하여 층과 층 사이의 van der Waals(vdW) 상호작용을 density functional theory(DFT) 계산을 이용해 연구하였다. Local density approximation(LDA)와 generalized gradient approximation (GGA)의 두 가지 다른 exchange correlation functional을 이용하고, 또한 두 개의 층 사이에 작용하는 van der Waals 상호작용을 고려한 LDA-D2, GGA-D2 계산을 수행하였다. 이와 같은 네 가지 방법으로 층간거리를 바꾸어 binding energy curve를 계산하였다. 그 결과 GGA-D2계산이 MMC의 층간 상호 작용을 가장 잘 기술하였다.

• Nuclear Engineering and Technology
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• v.7 no.4
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• pp.311-316
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• 1975

Kinetic studies on the halide exchange reactions of substituted benzoyl chlorides have been carried out. The experimental result has been explained reasonably in terms of HSAB principle and EH-Theory, and addition elimination mechanism has been proposed for this type of reaction.

• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.355-356
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• 2016

It is shown that the maximum value of exchange current is obtained where hydrogen adsorption energy is near 0. This enables to estimate catalytic efficiency of a material with hydrogen adsorption energy, which is relatively easier to calculate with density fuctional theory (DFT) method. Strain dependence of the adsorption energy was studied with DFT method and adsorption energy of 0.04 eV per hydrogen atom is obtained at 30% strain.

• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.734-740
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• 2000

Density functional theory calculations are presented for the geometrical isomers of the cyanopolyacetylenes H(C≡C)n,,C≡N (n = I-3). The structures, hartmonic frequencies and dipole moments are computed, employing the 6-311G** basis set. The ener gies of barrier to isomerization (exchange of carbon and nitrogen atoms) are also computed in order to estimate the stability of the isomers in interstellar space.

• Proceedings of The Korean Society of Agricultural and Forest Meteorology Conference
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• 2017.11a
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• pp.48-51
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• 2017

• Proceedings of the Korean Magnestics Society Conference
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• 2000.09a
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• pp.325-326
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• 2000

Low temperature diagnosis was performed as a probe for the integrity of MTJ(Magnetic tunnel junction) process which is optimised for the given plasma oxidation condition. TMR ratio increased slowly with decreasing temperature than that expected from spin wave exitation theory〔1〕. Junction resistance (RJ) does not follow T$\^$-$\frac{1}{2}$/ law below 200 K, indicating another conduction path besides spin polarized tunneling is involved at low temperature. Temperature dependence of conductance dip and bias dependence of TMR with temperature are discussed, from which the quality of tunnel barrier and its formation process can be inferred.

• ETRI Journal
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• v.37 no.1
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• pp.175-185
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• 2015

This paper presents a system-of-systems (SoS) approach to the formal modeling of a cyber-physical system (CPS) for simulation-based analysis. The approach is based on a convergence technology for modeling and simulation of a highly complex system in which SoS modeling methodology, hybrid systems modeling theory, and simulation interoperation technology are merged. The methodology maps each constituent system of a CPS to a disparate model of either continuous or discrete types. The theory employs two formalisms for modeling of the two model types with formal specification of interfaces between them. Finally, the technology adapts a simulation bus called DEVS BUS whose protocol synchronizes time and exchange messages between subsystems simulation. Benefits of the approach include reusability of simulation models and environments, and simulation-based analysis of subsystems of a CPS in an inter-relational manner.

• Journal of the Korean Society of Clothing and Textiles
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• v.30 no.6 s.154
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• pp.961-970
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• 2006

This study attempted to understand post-purchase consumer return experiences which had not received much attention in consumer behavior research. As a first step to understand return experiences from consumers' viewpoint, the study took an exploratory approach and identified themes and patterns from subjective consumer experiences. Whenever possible, attribution theory was applied to interpret the identified patterns. A total of 99 cases were collected from an open-ended questionnaire and analyzed based on a qualitative method. The reasons of product return was classified into five groups: changing mind; product defects; unsuitable products; products not expected; and for a better deal. External attribution was observed for return decisions caused by consumers' changed mind as well as by product defects. Dissatisfaction with defected products seemed to be intensified or reduced by service failure or success in the post-purchase service encounter. Consumer expectation and situations seemed to affect this process. Overall, the study supported attribution theory in the post-purchase return experience, and insights for research questions were proposed.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.87.1-87.1
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• 2017

High functional catalyst to efficiently produce clean and earth-abundant renewable fuels plays a key role in securing energy sustainability and environmental protection of our society. Hydrogen has been considered as one of the most promising energy carrier as represented by focused research works on developing catalysts for the hydrogen evolution reaction (HER) from the water hydrolysis over the last several decades. So far, however, the major catalysts are expensive transition metals. Here using first principles density functional theory (DFT) calculations we screen various pyrites for HER by identifying fundamental descriptor governing the catalytic activity. We enable to capture a strong linearity between experimentally measured exchange current density in HER and calculated adsorption energy of hydrogen atom in the pyrites. The correlation implies that there is an underlying design principle tuning the catalytic activity of HER.

• Korean Journal of Materials Research
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• v.6 no.12
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• pp.1242-1247
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• 1996

Spatially fixed bichromophoric systems with nonidentical chromophores have been extensively employed for studies of electron transfer and excitation transfer. Excitation hopping behavior between two naphthy1 moieties on 7,14-dihydro-7,14-ethanodibenz[a,h] anthracene(DEA)has been explored by the time-resolved fluorescence anisotropy measurements. The experimentally obtained value of the hopping rate in DEA agrees at least qualitatively with that calculated on the basis of the Dexter's theory, but disagrees with that calculated on the basis of the Forster's theory, indicates that for a pair of donor and acceptor with inter-chromophore separation as short as 4.5 $\AA$, excitation transfer via electron exchange is a predominant process.