• The Korean Journal of Ceramics
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• v.1 no.4
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• pp.209-213
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• 1995

The electrical conductivity was investigated in two series of alkali aluminosilicate glass melts, $25R_2O(R: Na and K)-xAl2O3-(75-x)SiO_2$ at temperatures ranging from 1000 to 140$0^{\circ}C$. The dependences of conductivity or activation energy on $Al_2O_3/R_2O$ of both series in the molten state showed a same behavior. These results in the molten state were compared with previous studies for sodium alkali aluminosilicate glasses in the molten and solid state, and explained in terms of the binding state: $[-O]-R^+\; and\; [AlO_4]-R^+$.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.430-433
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• 2014

Perovskite 구조를 가진 코발트 산화물 $SrCoO_3$와 Brownmillerite 구조인 $SrCoO_{2.5}$의 electronic structure를 제1원리 계산을 통해 분석하였다. 이들의 magnetic structure를 계산하여 실험을 통해 알려진 값과 비교하였고, 각 구조에서 코발트 이온이 갖는 spin state를 확인할 수 있었다. 코발트 이온은 $SrCoO_3$에서 intermediate spin state(IS)를, $SrCoO_{2.5}$에서는 high spin state(HS)를 갖는데 이것이 lattice constant의 차이에 의한 것인지, 아니라면 차이의 원인은 무엇인지 density of state를 분석함으로써 알아보았다.

• Bulletin of the Korean Chemical Society
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• v.21 no.6
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• pp.583-587
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• 2000

Depletion kinetics of ground state FeO molecules by $0_2$, $N_2O$ and $N_2$ has been studied at room temperature. The ground state FeO molecules were generated by photolysis of a $Fe$(CO)_5$/M(O_2$, $N_2O)/He$ mixture using an unfocused weak UV laser beam. The formation of ground state FeO molecules was identified by a laser-induced fluorescence (LIF) method. The intensity distribution of those undisturbed rotational lines suggests that the rotational temperature of the ground state FeO molecules is lower than room temperature. The LIF intensities of FeO molecules at different partial pressures of $0_2$, $N_2O$ and $N_2$ were monitored as a function of the time delay between the photolysis and probe laser pulses to obtain the depletion rate constants for the ground state FeO. They were 1.7+ 0.2x $10^{-12}$, 4.8 $\pm0.4$ x $10^{-12}$, and $1.4\pm$ 0.2x $10^{-12}cm^3$molecule^{-1}s^{-1}$$ by $0_2$, $N_20$, and $N_2$, respectively.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.184-188
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• 2002

Unsaturated $Cr(CO)_x(1{\leq}x{\leq}5)$molecules were generated in the gas phase from photolysis of $Cr(CO)_6$vapor in He using an unfocussed weak UV laser pulse and their reactions with $O_2$ and $N_2O$ have been studied. The formation and disappearance of the ground state CrO molecules were identified by monitoring laser-induced fluorescence(LIF) intensities vs delay time between the photolysis and probe pulses. The photolysis laser power dependence as well as the delay time dependence of LIF intensities from the CrO orange system showed different behavior as those from ground state Cr atoms, suggesting that the ground state CrO molecules were generated from the reaction between $O_2/N_2O$ and photo-fragments of $Cr(CO)_6$ by one photon absorption. The depletion rate constants for the ground state CrO by $O_2$ and $N_2O$ are $5.4{\pm}0.2{\times}10^{-11}$ and $6.5{\pm}0.4{\times}10^{-12}cm^3molecule^{-1}s^{-1}$, respectively.

• Proceedings of the Ginseng society Conference
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• 2002.10a
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• pp.84-95
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• 2002

• Journal of Electrochemical Science and Technology
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• v.9 no.3
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• pp.176-183
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• 2018

In this study, a $Li_2ZrO_3$ coated $Li[Ni_{0.8}Co_{0.15}Al_{0.05}]O_2$ (NCA) cathode was applied to an all-solid-state cell employing a sulfide-based solid electrolyte. Sulfide-based solid electrolytes are preferable for all-solid-state cells because of their high ionic conductivity and good softness and elasticity. However, sulfides are very reactive with oxide cathodes, and this reduces the stability of the cathode/electrolyte interface of all-solid-state cells. $Li_2ZrO_3$ is expected to be a suitable coating material for the cathode because it can suppress the undesirable reactions at the cathode/sulfide electrolyte interface because of its good stability and high ionic conductivity. Cells employing $Li_2ZrO_3$ coated NCA showed superior capacity to those employing pristine NCA. Analysis by X-ray photoelectron spectroscopy and electron energy loss spectroscopy confirmed that the $Li_2ZrO_3$ coating layer suppresses the propagation of S and P into the cathode and the reaction between the cathode and the sulfide solid electrolyte. These results show that $Li_2ZrO_3$ coating is promising for reducing undesirable side reactions at the cathode/electrolyte interface of all-solid-state-cells.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2003.07a
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• pp.259-262
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• 2003

The surface electronic state of rutile $TiO_2$, which is an oxide semiconductor and has a wide band gap of 3.1 $\sim$ 3.5 eV, was calculated by DV-$X_{\alpha}$ method, which is a sort of the first principle molecular orbital method and uses Hartre-Fock-Slater approximation. The $[Ti_{15}O_{56}]^{-52}$ cluster model was used for the calculation of bulk state and the $[OTi_{11}O_{34}]^{-24}$ model for the surface state calculation. After calculations, the energy level diagrams and the deformation electron density distribution map were compared in both models. As results, it was identified that the surface energy levels are found between the valence and conduction band of bulk $TiO_2$ on the surface area. The energy values of these surface-induced levels are lower than conduction band of bulk $TiO_2$ by 0.1 $\sim$ 1 eV. From this fact, it is expected that the surface energy levels act as donar levels in n-type semiconductor.

• 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 the Korean Ceramic Society
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• v.37 no.5
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• pp.459-465
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• 2000

3CaO.3Al2O3.CaSO4(C4A3)clinker was prepared by solid state reaction and then its hydration property was investigated. C4A3 clinker was fired at various temperatures in the range of 700~135$0^{\circ}C$. The hydration of it was studied by XRD, DSC, Solid-state 27Al MAS NMR and SEM. According to the results, the Ca4A3 clinker was produced by reacting calcium aluminates with CaSO4 and Al2O3 and C4A3 was formed as a main phase after calcining at 120$0^{\circ}C$. The hydration products were mainly calcium monosulfoaluminate hydrate and Al(OH)3, and they were produced after 2hrs of hydration. However the hydration rate was about 74% at 3days.

• The Journal of the Institute of Internet, Broadcasting and Communication
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• v.11 no.6
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• pp.9-14
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• 2011

We have investigated the electrical properties of $AlO_x$ thin film device. The device has been fabricated top-bottom electrode structure and its transport properties are measured in order to study the resistance change. Electrical properties with linear voltage sweep on a electrodes are used to show the variation of resistance of $AlO_x$ thin film device. Fabricated $AlO_x$ thin film device with MIM structure is changed from a high conductive On-state to a low conductive Off-state by the external linear voltage sweep. It is found that the initial resistance of the $AlO_x$ thin film is low-resistance On state and reversible switching occurs. Consequently, we believe $AlO_x$ thin film is a promising material for a next-generation nonvolatile memory and other electrical applications.