• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.180.2-180.2
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• 2014

Opening a bandgap by forming graphene nanoribbons (GNRs) and tailoring their properties via doping is a promising direction to achieve graphene-based advanced electronic devices. Applying a first-principles computational approach combining density functional theory (DFT) and DFT-based non-equilibrium Green's function (NEGF) calculation, we herein study the structural, electronic, and charge transport properties of boron-nitrogen binary edge doped GNRs and show that it can achieve novel doping effects that are absent for the single B or N doping. For the armchair GNRs, we find that the B-N edge co-doping almost perfectly recovers the conductance of pristine GNRs. For the zigzag GNRs, it is found to support spatially and energetically spin-polarized currents in the absence of magnetic electrodes or external gate fields: The spin-up (spin-down) currents along the B-N undoped edge and in the valence (conduction) band edge region. This may lead to a novel scheme of graphene band engineering and benefit the design of graphene-based spintronic devices.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.211.1-211.1
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• 2014

Recently, the scaling of conventional planar NAND flash devices is facing its limits by decreasing numbers of electron stored in the floating gate and increasing difficulties in patterning. Three-dimensional vertical NAND devices have been proposed to overcome these issues. Atomic layer deposition (ALD) is the most promising method to deposit charge trap layer of vertical NAND devices, SiN, with excellent quality due to not only its self-limiting growth characteristics but also low process temperature. ALD of silicon nitride were studied using NH3 and silicon chloride precursors, such as SiCl4[1], SiH2Cl2[2], Si2Cl6[3], and Si3Cl8. However, the reaction mechanism of ALD silicon nitride process was rarely reported. In the present study, we used density functional theory (DFT) method to calculate the reaction of silicon chloride precursors with a silicon nitride surface. DFT is a quantum mechanical modeling method to investigate the electronic structure of many-body systems, in particular atoms, molecules, and the condensed phases. The bond dissociation energy of each precursor was calculated and compared with each other. The different reactivities of silicon chlorides precursors were discussed using the calculated results.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.12 no.10
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• pp.4550-4560
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• 2011

Generally, a optical encoder is used to detect velocity for controling the electronic motor, the resolver is used when it is hard structurally to adjust encoder to electronic motor. so, the resolver has weakness in price in compare with encoder, but in case of controling the position of a magnetic polar, the resolver has stead detecting the absolute position of a rotator. This study is about the digital programing velocity detector which uses a minimum hardware : filter for detecting the revolve speed and rotor position of the motor by means of the resolver.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3607-3617
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• 2012

In this paper, the study of various ortho- and meta-substituted Magnolol derivatives is presented. The reaction enthalpies related to three antioxidant action mechanisms HAT, SET-PT and SPLET for substituted Magnolols have been calculated using DFT/B3LYP method in gas-phase and water. Calculated results show that electron-withdrawing substituents increase the bond dissociation enthalpy (BDE), ionization potential (IP) and oxidation/reduction enthalpy (O/RE), while electron-donating ones cause a rise in the proton dissociation enthalpy (PDE) and proton affinity (PA). In ortho- position, substituents show larger effect on reaction enthalpies than in meta-position. In comparison to gas-phase, water attenuates the substituent effect on all reaction enthalpies. In gas-phase, BDEs are lower than PAs and IPs, i.e. HAT represents the thermodynamically preferred pathway. On the other hand, SPLET mechanism represents the thermodynamically favored process in water. Results show that calculated enthalpies can be successfully correlated with Hammett constants (${\sigma}_m$) of the substituted Magnolols. Furthermore, calculated IP and PA values for substituted Magnolols show linear dependence on the energy of the highest occupied molecular orbital ($E_{HOMO}$).

• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.385-391
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• 2011

The time-dependent density functional theory (TDDFT) method has been carried out to investigate the excitedstate hydrogen-bonding dynamics of phenol-$(H_2O)_2$ complex. The geometric structures and infrared (IR) spectra in ground state and different electronically excited states ($S_1$ and $T_1$) of the hydrogen-bonded complex have been calculated using the density functional theory (DFT) and TDDFT method. A ring of three hydrogen bonds is formed between phenol and two water molecules. We have demonstrated that the intermolecular hydrogen bond $O_1-H_2{\cdots}O_3-H$ of the three hydrogen bonds is strengthened in $S_1$ and $T_1$ states. In contrast, the hydrogen bond $O_5-H_6{\cdots}O_1-H$ is weakened in $S_1$ and $T_1$ states. These results are obtained by theoretically monitoring the changes of the bond lengths of the hydrogen bonds and hydrogen-bonding groups in different electronic states. The hydrogen bond $O_1-H_2{\cdots}O_3-H$ strengthening in both the $S_1$ and $T_1$ states is confirmed by the calculated stretching vibrational mode of O-H (phenol) being red-shifted upon photoexcitation. The hydrogen bond strengthening and weakening behavior in electronically excited states may exist in other ring structures of phenol-$(H_2O)_n$.

• Journal of Bio-Environment Control
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• v.7 no.1
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• pp.71-77
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• 1998

The root-zone environment is an important factor to the plant growth and it is closely related to the thermal characteristics of the root media. In this study thermal characteristics of root media with ambient environmental conditions were analyzed. The temperatures of nutrient solution as well as inside air of culture bed were measured in Nutrient Film Technique(NFT) and Deep Flow Technique(DFT) systems, and also the temperatures of root media measured in aggregate culture systems , The temperature of nutrient solution of NFT system with as low as 3$\ell$/min of flow rate was 3$^{\circ}C$ higher than that with 5 $\ell$/min of flow rate in the daytime, and the temperature of inside air was 2$^{\circ}C$ higher at night. And the temperature of nutrient solution of DFT system with as low as 0.8 cm of water level was 1-2$^{\circ}C$ higher than that with 1 8 cm in the daytime, and the temperature of inside air was almost same at night. The root-zone temperatures in the perlite and rockwool granulate systems with film mulching were 3$^{\circ}C$ higher than those without film mulching in the daytime. However, the rockwool slab system with film mulching showed the same trend as rockwool granulate system, but relatively higher temperature than any other medium because of the exposure of media surface to the ambient air. Additionally the temperature below the plant was measured 3$^{\circ}C$ lower than that between plants.

• Journal of Bio-Environment Control
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• v.32 no.3
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• pp.234-241
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• 2023

This study was conducted to investigate the growth of lettuce (Lactuca sativa L.) and Korean mint (Agastache rugosa Kuntze) with microbubble in a closed-type plant production system (CPPS) with a deep flow technique (DFT). Lettuce and Korean mint were grown in CPPS for 23 days. Microbubble was treated for 5 minutes daily at 9:00, 13:00, and 17:00 for 16 days. The leaf length, leaf width, leaf area, and fresh and dry weights of lettuce and Korean mint were significantly lower in microbubble than in the control. The total root length, root surface area, and the number of root tips of lettuce and Korean mint were significantly lower in the microbubble than in the control. In the case of average root diameter, there was no difference between the treatments of lettuce. However, Korean mint significantly increased in thickness in the microbubble treatment, indicating variations among the different crops. The results of the research indicated that microbubble treatment in the DFT inhibited plant growth by inducing abiotic stress in lettuce and Korean mint.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3338-3342
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• 2012

Covalent functionalization of a $B_{12}N_{12}$ nano-cage with $CO_2$ molecule has been investigated using density functional theory in terms of energetic, geometric, and electronic property analyses. Results show that besides two physisorption configurations, $CO_2$ preferably tends to perform [2+2] addition on B-N bonds of the cluster which are shared between six-membered and four-membered rings, releasing energy of 14.99 kcal/mol for adsorption of the first $CO_2$ and of 15.45 kcal/mol for the second one (per each molecule). On the basis of calculated density of states, we have found that the electronic properties of the physisorbed $B_{12}N_{12}$ by $CO_2$ have not changed, while slight changes have been predicted in the functionalized cases. Present results might be helpful to provide an effective way to modify the $B_{12}N_{12}$ properties for further purifications and applications.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3343-3348
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• 2012

The possible ways for increasing the antioxidant properties of vitamin E have been investigated with density function theory. The effect of replacing three methyl groups of vitamin E with various substituents such as electron donating and electron withdrawing groups on the antioxidant properties of vitamin E were investigated. Also the effects of the reducing the number of atoms in the heterocyclic ring and replacing the oxygen heteroatom with other heteroatoms on the antioxidant properties of vitamin E were investigated. The novel structures that obtained from replacing methyl groups with substituents such as $NH_2$, OH, COOH and NHMe have greater antioxidant activity than vitamin E. Obtained results reveal that novel structure that obtained with replacing O with NH hetroatom would be a better antioxidant than vitamin E. The results reveal that reducing the number of atoms in the heterocyclic ring is a better way to synthesize novel antioxidants.

• The Transactions of The Korean Institute of Electrical Engineers
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• v.56 no.5
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• pp.834-840
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• 2007

A generator plays an important role in transferring an electric power to power system networks. The generator protection systems in Korea have been imported and operated through a tum-key from overseas entirely. Therefore, a study of the generator protection field has in urgent need for a stable operation of the imported goods, and for preparation of next generation protection system. The paper describes the fault detection algorithm using WT(Wave!et Transform) of currents for a generator protection. The fault current signals after executing a terminal fault modeling collect using a MA TLAB package, and calculate the wavelet coefficients through the process of a multi -level decomposition (MLD). The proposed algorithm for a fault detection using the Daubechies WT (wavelet transform) was executed with a C language for the command line function and for the real time realization after analyzing MATLAB's graphical interface. The advanced technique had complemented the defects of a DFT by applying a Daubechies WT. and had improved faster a speed and more accurate of fault discriminant than a conventional DFR.