• Proceedings of the KIEE Conference
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• 2005.07a
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• pp.211-213
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• 2005

In this paper, the frequency compensator for digital protective relay is introduced. Due to sudden appearance of generation-load or fault in power system, the frequency can deviate from its nominal value. The Orthogonal filter adopted to digital protective relay is exposed to the problem. Therefore, the frequency variation makes a difficult to protective function and power measurement in digital protective relay. The essential property of the proposed algorithm presented is its outstanding immunity to both signal orthogonal component magnitudes and DFT filter gain variations which ensures below 0.05Hz accuracy of estimation. Additionally, the proposed method has excellent characteristics with low signal sampling rate. Based on the frequency estimation, author design under frequency protection relay for generator and verifies its performance with several experimental tests.

• Bulletin of the Korean Chemical Society
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• v.29 no.1
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• pp.69-75
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• 2008

Tautomerism of pyrimidine base cytosine has been comparatively examined on nanoparticle and roughened plate surfaces of silver, gold, and copper by surface-enhanced Raman scattering (SERS). The SERS spectrum was found to be different depending on the metals and their substrate conditions suggesting the dissimilar population of various tautomers of cytosine on the surfaces. The ab initio calculations were performed at the levels of B3LYP, HF, and MP2 levels of theory with the LanL2DZ basis set to estimate the energetic stability of the tautomers with the metal complexes as well as the gas phase state. The amino group and N3-coordinated tautomer was predicted to be more favorable for bonding to Au, whereas the hydroxyl and N1-coordinated zwitter ionic form is most stable with Ag and Cu as a bidentate form from the DFT calculation. The binding energy with the Ag atom is calculated to be smaller than those with the Au and Cu atoms in line with the temperature-dependent SERS spectra of cytosine.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3722-3726
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• 2013

Covalent functionalization of a $Zn_{12}O_{12}$ nano-cage with $CO_2$ molecule in terms of energetic, geometry, and electronic properties was investigated by density functional theory method. For chemisorption configurations, the adsorption energy of $CO_2$ on the $Zn_{12}O_{12}$ nano-cage for the first $CO_2$ was calculated -1.25 eV with a charge transfer of 1.00|e| from the nano-cage to the $CO_2$ molecule. The results show that $CO_2$ molecule was significantly detected by pristine $Zn_{12}O_{12}$ nano-cage, therefore the nano-cage can be used as $CO_2$ storage. Also, more efficient binding could not be achieved by increasing the $CO_2$ concentration. For Physisorption configurations, HOMO-LUMO gap of the configurations has not changed, while slight changes have been observed in the chemisorption configurations.

• 한국정보디스플레이학회:학술대회논문집
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• 2003.07a
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• pp.178-180
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• 2003

We performed semiempirical (AMl and ZINDO) and ab initio (HF and DFT) calculations, to investigate molecular structures and optical properties of DCM and its derivatives. DCM and its derivatives are used as a red fluorescent dopant of the organic electroluminescent host materials, $Alq_3$. We have studied the relationship between the molecular structure and the optical properties of these molecules for the improvement of EL efficiencies. Wavelength at the absorption maximum was found to be red-shifted when the molecule is substituted with both strong electron donating and withdrawing functional groups. A new red fluorescent dye was predicted by QSPR study based on calculations and experimental data.

• The Journal of Korean Institute of Communications and Information Sciences
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• v.22 no.10
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• pp.2329-2338
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• 1997

A conventional digital receiver sampled a baseband signal and processed it digitally for demodulation. But now we can sample at sufficiently high speed a wideband signal to take enough discrete data values due to the advent of economic high-speed ADC. With this technical background, a wideband frequency-division-multiplexed signal can be undersampled and channelized in digital domain by DFT analysis filter using the theory of polyphase. In this paper, we propose a new digital receiver which can digitally process the multichannel received signal by sampling at IF band, develop a mathematical theory and algorithm, and analyze the performance by using C-language simulaation. The proposed receiver can demodulate analog and digital FM signals.

• Proceedings of the KIEE Conference
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• 2002.07a
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• pp.166-168
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• 2002

This paper presents a new numerical algorithm suitable for defining recloser reclaims time and blocking automatic reclosing during permanent faults on overhead lines. It is based on terminal voltage input data processing. The decision if it is safe or not to reclose is determined from the voltage signal of faulted and tripped line phase using Total Harmonic Distortion factor calculated by Discrete Fourier Transform. The algorithm was successfully tested using signals recorded on the real power system. The tests demonstrate the ability of presented algorithm to determine the secondary arc extinction time and to block unsuccessful automatic reclosing of HV lines with permanent fault.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.11a
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• pp.218-221
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• 2004

The electronic state of ZnO doped with Al, Ga and In, which belong to III family elements in periodic table, was calculated using the density functional theory. In this study, the program used for the calculation on theoretical structures of ZnO and doped ZnO was Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The detail of electronic structure was obtained by the describe variational $X{\alpha}(DV-X{\alpha})$(DV-Xa) method, which is a sort of molecular orbital full potential method. The optimized crystal structures obtained by calculations were compared to the measured structure. The density of state and energy levels of dopant elements was shown and discussed in association with properties.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.415.1-415.1
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• 2014

Carrying out first-principles calculations, we study N-doped capped carbon nanotube (CNT) electrodes applied to DNA sequencing. While we obtain for the face-on nucleobase junction configurations a conventional conductance ordering where the largest signal results from guanine according to its high highest occupied molecular orbital (HOMO) level, we extract for the edge-on counterparts a distinct conductance ordering where the low-HOMO thymine provides the largest signal. The edge-on mode is shown to operate based on a novel molecular sensing mechanism that reflects the chemical connectivity between N-doped CNT caps that can act both as electron donors and electron acceptors and DNA functional groups that include the hyperconjugated thymine methyl group[1].

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.169-169
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• 2017

Due to key roles for the electrochemical stability and charge capacity the solid-electrolyte interphase (SEI) has been extensively studied in anodes of a Li-ion battery cell. There is, however, few of investigation for cathodes. Using first-principles based calculations we describe atomic-level process of the SEI layer formation at the interface of a carbonate electrolyte and $LiMn_2O_4$ spinel cathode. Furthermore, using beyond the conventional density functional theory (DFT+U) calculations we examine the work function of the cathode and frontier orbitals of the electrolyte. Based on the results we propose that proton transfer at the interface is an essential mechanism initiating the SEI layer formation in the $LiMn_2O_4$. Our results can guide a design concept for stable and high capacity Li-ion battery cell through screening an optimum electrolyte fine-tuned energy band alignment for a given cathode.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.314-314
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• 2011

Using first principles calculations, we investigated the interface structure effects on the magnetic properties of the Fe/BaTiO3 system. On the BaO-terminated surface, a Fe monolayer is formed as two Fe atoms are adsorbed on the top sites of Ba and O in the ($1{\times}1$) surface unit and a Fe ML is formed on the TiO2-terminated surface as two Fe atoms are adsorbed on the two O top sites. The magnetic anisotropy energy of Fe was higher on the TiO2?-erminated surface (1.5 eV) than on the BaO-terminated surface (0.5 eV). The decomposed electron density of the states showed that the stronger hybridization of Fe with the TiO2 layer than with the BaO layer is the most important reason for the higher magnetic anisotropy energy.