• 한국재료학회지
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• 제8권8호
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• pp.678-684
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• 1998

정압분자동역학 시뮬레이션에 의하여 주기경계조건을 지닌 L-J 입자들로 구성된 계의 액체-유리-결정 전이를 연구하였다. 원자체적과 엔탈피는 가열 및 냉각과정에서 온도의 함수로 계산되었다. 반경분포함수로부터 유도된 Wendt-Abraham비와 단거리규칙도를 나타내는 각도분포함수를 분석하여 액체, 유리 및 결정상태를 구분하였다. 초기 fcc 결정을 가열하여 얻은 액체상은 급냉시에 비정질화하나 서냉시엔 결정화하였다. 급냉으로 생긴 유리는 다시 서서히 가열하면 fcc로 결정화하였다. 자유표면을 지닌결정은 표면에서부터 용해가 시작되어 벌크에 비하여 낮은 온도에서 녹고 냉각시에는 빠른 냉각속도에서도 결정화가 쉽게 일어나는 경향을 보였다.

• 대한금속재료학회지
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• 제49권8호
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• pp.596-600
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• 2011

Thermal degradation behavior of a $WO_3-TiO_2$ monolithic catalyst was investigated in terms of structural, morphological, and physico-chemical analyses. The catalyst with 4 wt.% $WO_3$ contents were prepared by a wet-impregnation method, and a durability test of the catalysts were performed in a temperature range between $400^{\circ}C$ and $800^{\circ}C$ for 3 h. An increase of thermal stress decreased the specific surface area, which was caused by grain growth and agglomeration of the catalyst particles. The phase transition from anatase to rutile occurred at around $800^{\circ}C$ and a decrease in the Brønsted acid sites was confirmed by structural analysis and physico-chemical analysis. A change in Brønsted acidity can affect to the catalytic efficiency; therefore, the thermal degradation behavior of the $WO_3-TiO_2$ catalyst could be explained by the transition to a stable rutile phase of $TiO_2$ and the decrease of specific surface area in the SCR catalyst.

• 한국표면공학회지
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• 제54권4호
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• pp.178-183
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• 2021

The temperature and frequency dependence of the dielectric constant of the BaTiO₃ substituted with two types of donor dopants, Nb⁵⁺ and Ta⁵⁺, respectively, were compared and analyzed. Dielectric specimens of four specific compositions, Ba_0.95Nb_0.05TiO₃, Ba_0.90Nb_0.10TiO₃, Ba_0.95Ta_0.05TiO₃, and Ba_0.90Ta_0.010TiO₃ were prepared by calcining at 1100 ℃ and sintering at 1300 ℃ to have a perovskite structure to measure capacitance. XRD and SEM analysis were used to observe the structure, with particular focus on the integration into the Nb⁵⁺ and Ta⁵⁺ substituted BaTiO₃ crystal lattice. X-ray diffraction peaks in the (200) and (002) planes were observed between 45.10° and 45.45° of the BaTiO₃ solid solution substituted with different fractions of Nb⁵⁺ and Ta⁵⁺. The dielectric properties were analyzed and the relationship between the properties and structure of the substituted BaTiO₃ was established. The fine particles and high density of the substituted BaTiO₃ were maintained like pure BaTiO₃, and in particular, a shift toward the low temperature side of the phase transition temperature range was clearly found, unlike pure BaTiO₃. In addition, the phase transition at a temperature higher than the Curie temperature relatively satisfies the modified Curie-Weiss law.

• 한국전기화학회:학술대회논문집
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• 한국전기화학회 2002년도 전지기술심포지움
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• pp.57-65
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• 2002

The presence of tetragonal phase at the surface of $LiMn_2O_4$ pinicle due to a Jahn-Teller offset was previously reported to be one of the causes for capacity fading observed during cycling of $Li//Li_xMn_2O_4$ in 4V range. Further, it is reported that a Jahn-Teller effect in 4V range may be suppressed by substitution of Mn ions with Li ions or other transition metal ions. However, the direct evidence of the suppression of a Jahn-Teller effect in 4V range by substitution of Mn ions with other metal ions has not been reported. The dissolution and formation of surface film at the surface of $LiMn_2O_4$ electrodes also reportedly affect the capacity fading or rate capability. This study reports on the evidence of the onset and suppression of a Jahn-Teller effect in 4V range and the dissolution and formation of surface film at the surface of $LiMn_2O_4$ thin film electrodes using in situ bending beam method (BBM) in situ electrochemical quartz crystal microbalance (EQCM).

• 한국가시화정보학회지
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• 제13권1호
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• pp.49-53
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• 2015

Recently, researches for droplet impact phenomena have been faced a new phase in the direction of studying the effect of complex external conditions (e.g. wettability, temperature, morphology, electric field, etc.) for depth understanding and precise controlling in various applications. Hence, here we investigated the electrified droplet impact phenomena, because there were few quantitative researches for electrified droplet impact when we considering many real applications such as electrospray, electrohydrodynamic (EHD) jet printing. To observe interaction effect of surface charge between substrate and droplet simultaneously, micro-droplets with various Reynolds number (Re) and Weber number (We) were dripped on super-hydrophobic surface with existence and nonexistence of electrical surface charge. It shows three kinds of impact behaviors, fully bouncing, partial bouncing, and splashing with different We. Also, charged droplet bounced higher on electrically charged surface than on non-charged surface. Additionally, transition regions of three impact behaviors were classified quantitatively with water hammer pressure value, which means instant pressure inside droplet at the impact moment.

• 전기화학회지
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• 제2권4호
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• pp.213-217
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• 1999

다결정 Pt/0.2 M LiOH수성 전해질 계면에서 두 구별되는 수소 흡착부위의 전기화학적 특성을 위상이동 방법을 이용하여 연구하였다. 순방향과 역방향 주사시, 순환 전압전류도에 UPD H 봉우리가 나타난다. 위상이동 변화 또는 Langmuir 흡착등온식에 전이영역(-0.66 to -0.96 V vs. SCE)이 나타난다 전이영역(-0.66 to -0.96 V vs. SCE)에서 수소 흡착평형상수(K)는 18.5에서 $4.0\times10^{-5}$ 또는 $4.0\times10^{-5}$에서 18.5로 전이한다 마찬가지로, 수소 흡착표준자유에너지$({\Delta}G_{ads})$도 -7.2 kJ/mol에서 25.1kJ/mol또는 25.1 kJ/mol에서 -7.2 kJ/mol로 전이한다. 다결정 Pt표면에서 UPD H와 OPD H는 구별이 가능한 두 종류의 전착된 수소 같이 작용한다. 발열반응이 UPD H 영역에서 나타난다. UPD H 봉우리와 전이영역은 다결정 Pt 표면에서 UPD H와 OPD 보의 두 구별되는 흡착부위에 기인한다.

• Korean Chemical Engineering Research
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• 제56권2호
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• pp.261-268
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• 2018

본 연구에서는 수열합성법과 주형합성법을 이용하여 메조포어를 지닌 $TiO_2$를 합성하였다. 수열합성법을 이용해서 anatase 구조의 메조포러스 $TiO_2$를 합성했다. Rutile 구조의 메조포러스 $TiO_2$를 제조하기 위해서 수열합성법으로 제조된 메조포러스 $TiO_2$를 $300^{\circ}C$부터 $700^{\circ}C$까지 소성시켰더니 $600^{\circ}C$부터 anatase에서 rutile 결정구조로 상전이가 일어났다. 하지만, 메조포어가 붕괴되었다. 메조포어을 지닌 $TiO_2$를 합성하기 위해서 메조포러스 실리카 KIT-6을 주형으로 사용하는 주형합성법을 사용하였다. 먼저 메조포어 내부에 $TiO_2$를 형성시키고 소성온도를 800, $900^{\circ}C$로 높여서 anatase에서 rutile로의 상전이 거동을 조사하였다. 수열합성을 통해 제조된 자유로운 상태의 메조포러스 $TiO_2$의 경우 $600^{\circ}C$에서 anatase에서 rutile로의 상전이가 일어났지만 제한된 공간인 메조포러스 기공 내부에 형성된 $TiO_2$의 경우 $800^{\circ}C$까지 가열하더라도 rutile구조로 상전이가 일어나지 않았고, $900^{\circ}C$로 소성시키자 일부의 anatase가 rutile로의 상전이가 일어나기 시작하였다. 이러한 상전이는 산소 빈자리의 형성에 의해서 일어나야 한다고 알려져 있지만 실리카 기공 내부에 형성된 $TiO_2$는 실리카 기공 표면이 산소 빈자리 형성을 방해해서 상전이가 억제되는 것으로 판단된다. $900^{\circ}C$의 높은 소성온도로 인해서 anatase와 rutile 구조가 섞여있으며 실리카 기공 내부에 형성된 $TiO_2$는 NaOH 수용액을 이용해서 주형인 KIT-6과 분리해서 메조포어를 지닌 $TiO_2$를 제조하였다.

• 한국결정성장학회지
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• 제13권1호
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• pp.24-30
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• 2003

The preparation of $PbTiO_3$ powder was carried out using the oxide starting material by hydrothermal method. The powder of a crystalline phase with perovskite structure was synthesized. The optimum conditions for the preparation of powder were as follows; hydrothermal solvent; 8M-KOH or 8M-NaOH, reaction temperature; 250~$270^{\circ}C$, run time; 10 h. The ,shape of synthesized powders were well developed crystalline faces with specific surface area of about 2.3 $\textrm m^2$/g in KOH solution and about 5.0 $\textrm m^2$/g in NaOH solution. The cell parameters of powder were a = 3.90$\AA$, c = 4.14 $\AA$ and cell volume was 57.30 $\AA^3$. The cell ratio (c/a) of powder was the same as the theoretical ratio with c/a = 1.06 and the phase transition temperature(Tc) of the powders was about $470^{\circ}C$.

• Bulletin of the Korean Chemical Society
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• 제3권2호
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• pp.37-44
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• 1982

In this work we have studied the multilayer stepwise adsorption of gases on solid adsorbents based on the previously developed theory. It is shown that stepwise adsorption isotherms emerge from our theory if an ad hoc adsorption regarding the degree of occupation for each successive layer is abolished and the effect of lateral intermolecular interactions among adsorbate molecules is included. In addition to these the effect of vertical interactions has also been taken into consideration. It seems that the vertical interaction plays a role in deciding the shape and the position of steps in resulting isotherms. It is evident from this research that it is the lateral interaction that is responsible for stepwise adsorption as long as the adsorbent surface is uniform and temperature is sufficiently low.

• Bulletin of the Korean Chemical Society
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• 제24권3호
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• pp.377-383
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• 2003

Physicochemical properties of a series of PC monolayers with different alkyl chains (C24, C20, C16, and C8), at the air/water interface were investigated. The surface pressure is influenced mainly by the hydrophobicity of the PCs, which is confirmed by the curve shape and the on-set value of π-A isotherms at the air/water interface by increasing the number of alkyl chain. The on-set values of surface pressure were 125 Ų/molecule for DOPC(C8), 87 Ų/molecule for DPPC(C16), 75 Ų/molecule for DAPC(C20), and 55 Ų/molecule for DLPC(C24), respectively. The orientations of alkyl chains at the air/water interface are closely connected with the rigidity of the monolayers, and it was confirmed by the tendency of monolayer thickness in ellipsometry data. The temperature dependence of a series of PCs shows that the surface pressure decreases by increasing temperature, because the longer the alkyl chain length, the larger the hydrophobic interaction in surface pressure. The temperature effects and the conformational changes of unsaturated and saturated PCs were confirmed by the computer simulation study of the cis-trans transition with POPC and DPPC(C16). The cistrans conformational energy difference of POPC is 62.06 kcal/mol and that of DPPC(C16) is 6.75 kcal/mol. Due to the high conformational energy barrier of POPC, phase transition of POPC is limited in comparison with DPPC(C16).