• Bulletin of the Korean Chemical Society
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• 제26권11호
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• pp.1795-1802
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• 2005

Potential energy curves and internuclear (M-X) distance variations for dissociation reactions of $[MX_4]^{2-}$ into ($[MX_3]^-$ + $X^-$) have been calculated using ab initio Hartree-Fock (HF), second order M$\ddot{o}$ller-Plesset perturbation (MP2), and Density Functional Theory (DFT) methods with a triple zeta plus polarization (TZP) basis set. The equilibrium geometrical structures of $[MX_4]^{2-}$ are optimized to tetrahedral geometry for $[NiX_4]^{2-}$ and square planar geometry for ($[PdX_4]^{2-}$ and $[PtX_4]^{2-}$). The bond (M-X) distances of $[NiCl_4]^{2-}$, $[NiBr_4]^{2-}$, $[PdCl_4]^{2-}$, $[PdBr_4]^{2-}$, $[PtCl_4]^{2-}$, and $[PtBr_4]^{2-}$ at the DFT level are 2.258, 2.332, 2.351, 2.476, 2.367, and 2.493 $\AA$, respectively. The dissociation energies for the bond dissociation of ($[MX_3]^-$${\cdot}{\cdot}{\cdot}$$X^-$) at the DFT level are found to be 4.73 eV for $[NiCl_4]^{2-}$, 4.89 eV for $[NiBr_4]^{2-}$, 4.93 eV for $[PdCl_4]^{2-}$, 5.57 eV for $[PdBr_4]^{2-}$, 5.44 eV for $[PtCl_4]^{2-}$, and 5.87 eV for $[PtBr_4]^{2-}$. As the (M${\cdot}{\cdot}{\cdot}$X) distance of ($[MX_3]^-$${\cdot}{\cdot}{\cdot}$$X^-$) increases, the distance variation (Rt) of trans (M-X) bond at the trans-position is shorter than those (Rc) of two cis (M-X) bonds at the cisposition. Simultaneously the atomic charge variation of trans-X atom is more positive than those of equilibrium $[MX_4]^{2-}$ structures, while the variation of leaving X group is more positive.

• 전기화학회지
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• 제4권3호
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• pp.113-117
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• 2001

탄소계 전극을 사용하는 EDLC(Electric Double Layer Capacitor)용의 축전용량과 충방전속도는 전해질의 종류, 충방전 조건 그리고 탄소계 물질의 물리화학적 성질에 따라 크게 달라질 수 있다. 이에 본 연구에서는 dip coating method에 의해 제조된 EDLC용 활성탄소 전극에서 유기 전해질의 종류를 달리하여 충방전 실험과 전기화학적인 실험을 시행하였다. 또한 충전전류밀도와 방전전류밀도의 변화에 따른 비축전 용량의 변화를 조사하였고, 최적 유기전해질의 조건에서 leakage current 특성, 자가방전 특성 그리고 시간전압곡선을 기존의 $1M-Et_4NBF_4/PC$와 비교하였다 활성탄, 소전극으로 비표면적이 $2000m^2/g$인 MSP-20을 사용하고 유기전해질로는 $1M-LiPF_6/PC-DEC(1:1)$를 사용한 EDLC에서 130 F/g 정도의 우수한 비축전 용량을 나타내었고 저항면에서도 가장 낮은 수치를 나타내었다 $1M-LiPF_6/PCDEC(1:1)$를 사용한 EDLC는 15분동안 0.0004A의 낮은 leakage current와 100시간 경과 후 0.8V의 우수한 자가 방전 특성 그리고 IR-drop이 적은 선형의 시간-전압곡선을 보여주었다.

• Corrosion Science and Technology
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• 제14권2호
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• pp.54-58
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• 2015

A heavy oil of low quality has been mainly used in the diesel engine of the merchant ship as the oil price has been significantly jumped for several years. Thus, a combustion chamber of the engine has been often exposed to severely corrosive environment more and more because temperature of the exhaust gas of the combustion chamber has been getting higher and higher with increasing of using the heavy oil of low quality. As a result, wear and corrosion of the engine parts such as exhaust valve, piston crown and cylinder head surrounded with combustion chamber are more serious compared to the other parts of the engine. Therefore, an optimum repair welding for these engine parts is very important to prolong their lifetime in a economical point of view. In this study, 1.25Cr-0.5Mo filler metal was welded with SMAW method in the forged steel which would be generally used with piston crown material. And the corrosion properties of weld metal, heat affected and base metal zones were investigated using electrochemical methods such as measurement of corrosion potential, anodic polarization curves, cyclic voltammogram and impedance etc. in 35% $H_2SO_4$ solution. The weld metal and base metal zones exhibited the highest and lowest values of hardness respectively. And, the corrosion resistance of the heat affected and weld metal zones was also increased than that of the base metal zone. Furthermore, it appeared that the corrosive products with red color and local corrosion like as a pitting corrosion were more frequently observed on the surface of the base metal zone compared to the heat affected and weld metal zones. Consequently, it is suggested that the mechanical and corrosion characteristics of the piston crown can be predominantly improved by repair welding method using the 1.25Cr-0.5Mo electrode.

• Corrosion Science and Technology
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• 제12권1호
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• pp.40-49
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• 2013

Effects of magnesium and pH on corrosion of aluminum galvanically coupled to iron have studied by using potentio- dynamic and static tests for polarization curves, Mott-Schottky test for analysis of semiconductor property, and GD-AES and XPS for film analysis. Pitting potential was sensitive to magnesium as an alloying element but not to pH, while passive current was sensitive to pH but not to magnesium. It was explained with, instead of point defect model (PDM), surface charge model describing that the ingression of chloride depends on the state of surface charge and passive film at film/solution interface is affected by pH. In addition, galvanic current of aluminum electrically coupled to iron was not affected by magnesium in pH 8.4, 0.2M citrate solution but was increased by magnesium at the solution of pH 9.1. The galvanic current at pH 9.1 increased with time at the initial stage and after the exposure of about 200 minute, decreased and stabilized. The behavior of the galvanic current was related with the concentration of magnesium at the surface. It agreed with the depletion of magnesium at the oxide surface by using glow discharge atomic emission spectroscopy (GD-AES). In addition, pitting potential of pure aluminum was reduced in neutral pH solution where chloride ion maybe are competitively adsorbed on pure aluminum. It was confirmed by the exponential decrease of pitting potential with log of [$Cl^-$] around 0.025 M of [$Cl^-$] and linear decrease of the pitting potential. From the above results, unlike magnesium, alloying elements with higher electron negativity, lowering isoelectric point (ISE), are recommended to be added to improve pitting corrosion resistance of aluminum and its alloys in neutral solutions as well as their galvanic corrosion resistance in weakly basic solutions.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.242-242
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• 2016

Magnetite, Fe3O4, is a ferrimagnet with a cubic inverse spinel structure and exhibits a metal-insulator, Verwey, transition at about 120 K.[1] It is predicted to possess as half-metallic nature, 100% spin polarization, and high Curie temperature (850 K). Cobalt ferrite is one of the most important members of the ferrite family, which is characterized by its high coercivity, moderate magnetization and very high magnetocrystalline anisotropy. It has been reported that the CoFe2O4/Fe3O4 bilayers represent an unusual exchange-coupled system whose properties are due to the nature of the oxide-oxide super-exchange interactions at the interface [2]. In order to evaluate the effect of interface interactions on magnetic and transport properties of ferrite and cobalt ferrite, the CoFe2O4/Fe3O4 superlattices on MgO (100) substrate have been fabricated by molecular beam epitaxy (MBE) with the wave lengths of 50, and $200{\AA}$, called $25{\AA}/25{\AA}$ and $100{\AA}/100{\AA}$, respectively. Streaky RHEED patterns in sample $25{\AA}/25{\AA}$ indicate a very smooth surface and interface between layers. HR-TEM image show the good crystalline of sample $25{\AA}/25{\AA}$. Interestingly, magnetization curves showed a strong antiferromagnetic order, which was formed at the interfaces.

• International Journal of Ocean System Engineering
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• 제2권4호
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• pp.209-213
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• 2012

Recently, the fuel using in the diesel engines of marine ships has been changed to a low quality of heavy oil because of the steady increase in the price of oil. Therefore, the wear and corrosion in all parts of the engine such as the cylinder liner, piston crown, and spindle and seat ring of exhaust valves has correspondingly increased. The repair welding of a piston crown is a unique method for prolonging its lifetime from an economic point of view. In this case, filler metals with a high corrosion and wear resistance are mainly being used for repair welding. However, often at a job site on a ship, a piston crown is actually welded with mild filler metals. Therefore, in this study, mild filler metals such as CSF350H, E8000B2, and 435 were welded to SS401 steel as the base metal, and the corrosion properties of the weld metals with and without post weld heat treatment were investigated using some electrochemical methods in a 0.1% $H_2SO_4$ solution. The weld metal welded with CSF350H filler metal exhibited the best corrosion resistance among these filler metals, irrespective of the heat treatment. However, the weld metal zones of the E8000B2 and 435 filler metals exhibited better and worse corrosion resistance with the heat treatment, respectively. As a result, it is suggested that in the case of repair welding with CSF350H and 435 filler metals, no heat treatment is advisable, while heat treatment is desirable if E8000B2filler metal is used with repair welding.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2006년도 추계학술대회
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• pp.352-355
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• 2006

As the stainless steel has good corrosion resistance, mechanical property and ease of manufacture, it has been studied as the candidate material of metallic bipolar plate for automotive PIMFC. But, metal is dissolved under fuel cell operating conditions Dissolved ions contaminate a membrane electrode assembly (MEA) and, decrease the fuel cell performance. In addition, metal oxide formation on the surface of stainless steel increases the contact resistance in the fuel cell. These problems have been acted as an obstacle in the application of stainless steel to bipolar plate. Therefore, many kinds of coating technologies have been examined in order to solve these problems. In this study, stainless steel was coated in order to achieve high conductivity and corrosion resistance by several methods. Contact resistance was measured by using a tensile tester and impedance analyzer Corrosion characteristics of coated stainless steel were examined by Tafel-extrapolation method from the polarization curves in a solution simulating the anodic and cathodic environment of PEMFC. Fuel cell performance was also evaluated by single cell test. We tested various coated metal bipolar plate and conventional and graphite were also tested as comparative samples. In the result, coated stainless steel bipolar plate exhibited better cell performance than graphite to bipolar plate.

• 자원환경지질
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• 제17권1호
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• pp.49-55
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• 1984

유도 분극법에서 지하의 경사 물체에 대한 3차원 표준곡선을 해석하였다. 이들 물체 대한 쌍극자 IP 응답은 적분 방정식을 이용한 수치계산 방법으로 구해졌다. 이때 물체의 경사각은 각각 0,20. 45,70 및 90도 이다. 물체가 수평 (경사각 0 도) 및 수직(경사각 90도)일 때는 단면도에서 대칭성 IP 패턴이 되지만, 20, 45 및 70도로 경사하고 있을 때는 최대값의 등치선이 물체의 경사 방향과 반대 방향으로 기울어져 있는 비대칭성 패턴을 나타낸다. 이중 가장 현저한 비대칭성 패턴은 20도 경사 모델에서 나타났다. 쌍극자 IP 데이터로서 70도 경사물체와 수직물체를 식별하기는 어렵다. 또한 측선이 물체의 중심에서 주향방향으로 멀어질 때의 반응은 IP anomaly가 작은 값으로 단면도에서 보다 깊은 곳에 나타나게 된다. 한편, 탐사대상물의 위치를 추정할 때 평면도는 단연도보다 유용할 것으로 생각된다.

• 한국환경과학회지
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• 제5권5호
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• pp.593-603
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• 1996

용응탄산염 연료전지의 산소전극성능모사를 위한 이중기공구조의 filmed agglomerate model을 연구하였다. 이 모델에서는 전극과 전해질 계면의 물리, 화학적인 현상 및 전극반응기구를 고려하여 정상상태 에서 전극의 특성을 조업조건에 따라 표시할 수있다. 기존의 연구에서 기하학적인 구조를 가정하여 전극반응면적을 이론적으로 계산한 반면에 본 연구에서는 porosimeter를 이용한 기공도와 기공구조 분포 측정자료를 이용한 방법을 제시하였다. 계산결과는 전극재질, 기체조성, 전극두께, agglomerate 기공도 및 전해질 막의 두께에 따른 영향을 전류밀도와 과전압의 관계로 표시하였다. 또한 전극 재질로 perovskite (La0.8Sr0.2CoO3)와 NiO를 사용하여 실제전지를 이용한 성능을 측정하여 이론치와 비교하였다. 두전 극의 반쪽전지 실험에서 유사한 성능을 나타내었다. Perovskite 전극은 전극 기공도 65%, agglomerate 기공도 12% 그리고 전극두께 1.5~2mm에서 최적의 결과를 보여주었다. NiO전극의 경우 peroxide 반응기구에서 superoxide 반응기구의 계산결과보다 실험치와 일치하는 좋은 결과를 보였다.

• 한국결정성장학회지
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• 제16권4호
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• pp.133-140
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• 2006

The growth characteristics and properties of large size $SrAlF_5$ single crystals are described and compared with those of $BaMgF_4$. Transmission spectra in the vacuum ultraviolet wavelength region indicate a high transparency of $SrAlF_5$ (about 90% without considering surface reflection loses) down to 150 nm, on contrast to the optical loses observed for $BaMgF_4$. The ferroelectric character of $SrAlF_5$ is evidenced by the reversal of the spontaneous polarization in a hysteresis loop. The higher potential of $SrAlF_5$ in comparison with $BaMgF_4$ for the realization of all-solid-state lasers in the ultraviolet wavelength region by the quasi-phase matching (QPM) technique is pointed out. $SrAlF_5$, besides a higher grade of transparency, shows a nonlinear effective coefficient similar to that of quartz and uniaxial nature, on contrast to the one order smaller nonlinear coefficient and biaxial character of $BaMgF_4$. The refractive index of $SrAlF_5$ from the ultraviolet to the near-infrared wavelength region is measured by the minimum deviation method. The Sellmeier and Cauchy coefficients are obtained from the fits to the curves of the ordinary and extraordinary refractive indices, and the grating period for the first order QPM is estimated as a function of the wavelength. The poling periodicity for 193 nm SHG from 386 nm is $4{\mu}m$.