• The Korean Journal of Ceramics
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• 제1권4호
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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: $[-O]-R^+\; and\; [AlO_4]-R^+$.

• EDISON SW 활용 경진대회 논문집
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• 제3회(2014년)
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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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• 제21권6호
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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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• 제23권2호
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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.

• 고려인삼학회:학술대회논문집
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• 고려인삼학회 2002년도 학술대회지
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• pp.84-95
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• 2002

• Journal of Electrochemical Science and Technology
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• 제9권3호
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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.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2003년도 하계학술대회 논문집 Vol.4 No.1
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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.

• 대한화학회지
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• 제55권3호
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• pp.385-391
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• 2011

Phenol-$(H_2O)_2$ 착물의 여기상태 수소 결합 동력학을 시간 의존 밀도 함수 이론(TDDFT) 법으로 연구하였다. 수소-결합된 착물에 대한 바닥 상태 및 다른 전자 여기 상태들 ($S_1$와 $T_1$)에서의 기하학적 구조와 IR 스펙트라를 밀도 함수 이론(DFT)와 TDDFT 방법을 사용하여 계산하였다. 페놀과 두 물분자 간에 3개의 수소 결합으로 구성된 고리가 형성되었다. 세 개의 수소 결합에서 분자간 수소결합 $O_1-H_2{\cdots}O_3-H$은 $S_1$ 그리고 $T_1$ 상태에서 더 강해졌지만, 수소결합 $O_5-H_6{\cdots}O_1-H$은 $S_1$과 $T_1$상태에서 약해졌다. 이러한 결과들은 다른 전자 상태에서 수소 결합과 hydrogen-bonding groups의 결합 길이의 변화를 이론적으로 모니터링하여 얻었다. 수소 결합 $O_1-H_2{\cdots}O_3-H$가 $S_1$와 $T_1$ 상태 모두에서 강화된다는 것은 OH(phenol)의 계산된 신축 진동 모드가 광 여기에 의해 적색-이동한다는 것으로부터 확인 되었다. 전자 여기 상태에서 수소 결합이 강해지고 약해지는 행동은 phenol-$(H_2O)_n$의 다른 고리 구조에 존재할 수 있다.

• 한국세라믹학회지
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• 제37권5호
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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.

• 한국인터넷방송통신학회논문지
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• 제11권6호
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• pp.9-14
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• 2011

$AlO_x$ 박막 소자를 제작하여 전기적 특성을 조사하였다. 소자는 Electrode를 Top-bottom구조로 제작하였으며 스위칭 특성을 연구하기 위해 전극간의 $AlO_x$ 박막의 전도특성이 측정되었다. 박막소자의 저항변화는 전압을 선형적으로 인가하여 측정하였다. 제작된 소자는 MIM구조로써 외부에서 인가하는 전기적 신호에 의하여 전기전도도가 큰 On-state와 전기전도도가 낮은 Off-state로 바뀌는 특성을 나타내었다. 본 연구에 사용된 $AlO_x$ 박막은 초기 저항 상태가 저저항 On 상태였으며, 전압을 인가함에 따라 저저항 On 상태와 고저항 Off 상태의 가역적 저항 변화 특성을 나타내었다. 본 연구를 통하여 $AlO_x$ 박막소자는 차세대 비휘발성 메모리로는 물론 다른 전기적 응용도 기대되는 물질임을 확인하게 되었다.