• Bulletin of the Korean Chemical Society
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• 제31권4호
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• pp.941-948
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• 2010

Ab initio and density functional theory methods have been employed to study all theoretically possible conformers of fluoroacetic acid. Molecular geometries and energetic of cis and trans monomers and cis dimers in gaseous phase have been obtained using HF, B3LYP and MP2 levels of theory, implementing 6-311++G(d,p) basis set. It was found that cis rotamers are more stable. In addition, it was found that in comparison with acetic acid the strength of hydrogen bonding in fluoroacetic acid decreased. The infrared spectrum frequencies and the vibrational frequency shifts are reported. Natural population and atom in molecule analysis performed to predict electrostatic interactions in the cyclic H-bonded complexes and charges. The proton transfer reaction is studied and activation energy is compared with acetic acid proton transfer reaction.

• 한국세라믹학회지
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• 제26권3호
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• pp.371-380
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• 1989

The purpose of this experiment is to elucidate the reaction mechanism concerning to the formation of crystalline BaTiO3 synthesized by adding the pH control agent(KOH soln) in TiCl4 and BaCl2 solution (Wet direct synthetic method). In this expeirment, it is identified that the amorphous barium-titanate having Ba-O-Ti bonding is formed above pH5 due to the -OH- ion and Ti-gel is formed below pH5 due to the polymerization of metatitanic acid. The bonding of the amorphous Ba-O-Ti is identified by FT-IR spectrum and crystallization temperature is about 82$0^{\circ}C$. If the pH of the above system according to the -OH- ion concentration is above 13.8, the polymerized metatitanic acid will be depolymerized and produce [TiO3]2+ion and crystalline BaTiO3 is formed by reacting the produced [TiO3]-- ion with the active Ba++ ion.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.137-137
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• 2013

The most stable adsorption structures and their corresponding energies of 4-pyridone, 4-hydroxypyridine, 2-pyridone and 2-hydroxypyridine have been investigated by Density Functional Theory (DFT) calculation method and high-resolution photoemission spectroscopy (HRPES). We confirmed that between the two reaction centers of 4- and 2-pyridone, only O atom of carbonyl functional group can act as a Lewis base and thus, O dative bonding structure is the most stable. On the other hand, we clarified that both the two reaction centers (the cyclic N atom and the O atom of hydroxyl functional group) of 4- and 2-hydroxypyridine (tautomers of 4- and 2-pyridone) can successfully function as a Lewis base. Through the interpretation of the N 1s and O 1s core level spectra obtained using HRPES, we could confirm the electronic structures and bonding configurations of these molecules with a coverage dependence on the Ge(100) surface.

• Journal of Welding and Joining
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• 제20권6호
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• pp.106-106
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• 2002

This study investigated variations of micro-structures and mechanical properties of Ti / STS321L joint with various bonding temperature and time using brazing method. According to increasing bonding temperature and time, it was observed that the thickness of their reaction layer increased due So increasing diffusion rate and time. From the EPMA results, Ti diffused to the STS321L substrate according to increasing bending time to 30min. Hardness of bonded interface increased with increasing bonding temperature and time due to increasing their oxides and intermetallic compounds. XRD data indicated that Ag, Ag-Ti intermetallic compounds, TiAg and Ti₃Ag and titanium oxide, TiO₂were formed in interface. In tensile test, it was found that the tensile strength had a maximum value at the bonding temperature of 900℃ and time of 5min, and tensile strength decreased over bonding time of 5min. The critical thickness of intermetallic compounds was observed to about 30㎛, because of brittleness from their excessive intermetallic compounds and titanium oxide, and weakness from void.

• Journal of Welding and Joining
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• 제20권6호
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• pp.830-837
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• 2002

This study investigated variations of micro-structures and mechanical properties of Ti / STS321L joint with various bonding temperature and time using brazing method. According to increasing bonding temperature and time, it was observed that the thickness of their reaction layer increased due So increasing diffusion rate and time. From the EPMA results, Ti diffused to the STS321L substrate according to increasing bending time to 30min. Hardness of bonded interface increased with increasing bonding temperature and time due to increasing their oxides and intermetallic compounds. XRD data indicated that Ag, Ag-Ti intermetallic compounds, TiAg and $Ti_3Ag$ and titanium oxide, $TiO_2$ were formed in interface. In tensile test, it was found that the tensile strength had a maximum value at the bonding temperature of $900^{\circ}C$ and time of 5min, and tensile strength decreased over bonding time of 5min. The critical thickness of intermetallic compounds was observed to about $30\mu\textrm{m}$, because of brittleness from their excessive intermetallic compounds and titanium oxide, and weakness from void.

• 한국세라믹학회지
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• 제36권1호
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• pp.97-105
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• 1999

탄화규소와 카본의 이성분계에서 pH, 계면활성제 및 출발원료의 입도 분포를 이용하여 성형체의 기공크기 및 기공을 제어에 관한 연구를 수행하였다. 성형체는 각각 다른 분산조건을 가지는 슬러리를 이장성형법을 이용하여 제조하였으며, 입자간의 응\ulcorner제어에 따른 상이한 성형미세구조를 가지도록 하였다. 제조된 성형체에 대하여 반응소결 공정은 1$600^{\circ}C$, 진공분위기에서 20분간 응용 실리콘 침윤 공정을 행하였다. 초기 성형 미세구조가 반응소결체의 미세구조에 미치는 영향을 관찰하기 위하여 광학 현미경 및 SEM 분석을 통하여 제조된 소결체의 미세구조를 분석하였으며, 그리고 이에 따른 반응 소결체의 기계적 특성을 평가하였다. 각각의 분산조건에 따라 성형미세구조는 다르게 나타났으며, 미세한 탄화규소를 입자를 사용하였을 경우에 기공크기가 현저하게 작아짐을 확인하였다. 제조된 반응소결체의 미세구조 분석결과 일반적인 반응소결 탄화수소에서 발견되는 bimodal 미세구조는 관찰되지 않았으며, 이는 초기 탄화규소의 카본의 비가 중요항 변수인 것으로 분석하였다. 반응소결 탄화규소의 3-점 곡강도 값은 입자간의 분산이 잘 이루어진 성형체를 사용하였을 경우 310$\pm$40 MPa으로서 응집이 일어난 성형체를 사용한 반응소결체의 260$\pm$50MPa 보다 높았다.

• Journal of Welding and Joining
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• 제21권2호
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• pp.89-96
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• 2003

The change of microstructures in the base metal during transient liquid phase bonding process of directionally Ni base superalloy, GTD-111 was investigated. Bonds were fabricated using a series of holding times(0-7.2ks) at three different temperatures(1403, 1418 and 1453K) under a vacuum of 13.3mPa. In raw material, ${\gamma}$- ${\gamma}$' eutectic phases, platelet η phases, MC carbide and PFZ were seen in interdendritic regions or near grain boundary and size of primary ${\gamma}$' precipitates near interdendritic regions were bigger than core region. The primary ${\gamma}$' precipitates in dendrite core were dissolved early in bonding process, but ${\gamma}$' precipitates near interdendritic regions were dissolved partially and shape changed. The dissolution rate increased with increasing temperature. Phases in interdendritic regions or near pain boundary continually changed with time at the bonding temperature. In the bonding temperature of 1403K, eutectic phases had not significantly changed, but η phases had transformed from platelet shape to needle morphology and PFZ region had widened with time. The interdendritic region and near pain boundary were liquated partially at 1423k and fully at 1453k by reaction of η phases and PFZ. In the bonding temperature of 1453K, interdendritic region and near pain boundary were liquated and then new phases which mixed with η phases, PFZ and MC carbide crystallized during cooling. Crystallized η phases transformed from rod shape to platelet shape with increasing holding time.

• 한국재료학회지
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• 제32권8호
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• pp.339-344
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• 2022

The lattice oxygen mechanism (LOM) is considered one of the promising approaches to overcome the sluggish oxygen evolution reaction (OER), bypassing -OOH^* coordination with a high energetic barrier. Activated lattice oxygen can participate in the OER as a reactant and enables O^*-O^* coupling for direct O₂ formation. However, such reaction kinetics inevitably include the generation of oxygen vacancies, which leads to structural degradation, and eventually shortens the lifetime of catalysts. Here, we demonstrate that Se incorporation significantly enhances OER performance and the stability of NiFe (oxy)hydroxide (NiFe) which follows the LOM pathway. In Se introduced NiFe (NiFeSe), Se forms not only metal-Se bonding but also Se-oxygen bonding by replacing oxygen sites and metal sites, respectively. As a result, transition metals show reduced valence states while oxygen shows less reduced valence states (O^-/O₂^2-) which is a clear evidence of lattice oxygen activation. By virtue of its electronic structure modulation, NiFeSe shows enhanced OER activity and long-term stability with robust active lattice oxygen compared to NiFe.

• 한국세라믹학회지
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• 제33권12호
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• pp.1414-1420
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• 1996

평균 입경 8${\mu}{\textrm}{m}$ Si 분말을 사용하여 무가압 분말 충전 성형볍에 의해 Si 성형체를 제조하였다. 이 Si 성형체를 1350,140$0^{\circ}C$의 온도에서 3~35시간동안 N2/H2 분위기에서 반응 소결한 후 미세구조를 관찰하였다. 반응 소결체는 90% 이상의 질화율과 88%의 상대밀도를 보였다. 반응 소결체의 가스압 소결을 위해 소결조제로서 MgO를 Mgnitrate 수용액 형태로 Si 성형체에 5wt% 첨가한 후140$0^{\circ}C$에서 15시간동안 반응 소결하였다. 이후 반응 소결체를 1800, 1900, 200$0^{\circ}C$에서 각각 150, 300분 동안 가스압 소결을 행하여 95%의 상대밀도와 598 MPa의 꺾임강도, 6 MPa.m1/2의 파괴인성을 나타내는 질화규소 소결체를 제조하였다.

• 한국자기학회지
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• 제11권5호
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• pp.226-231
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• 2001

Mn-Zn 페라이트 단결정과 ZnO가 6 mol% 첨가된 SiO$_2$-PbO 다성분계 유리를 700, 800, 900, 1000 $^{\circ}C$에서 열처리시킨 후 계면반응과 자기적 특성 변화를 분석하였다. 계면반응분석 결과, 계면에 2차상은 생성되지 않았으며, 계면의 페라이트 부위에 Zn 농도가 증가하였으며 반대로 Mn 농도는 감소하였다. 열처리 온도가 증가함에 따라 접합시편의 초기 투자율 값이 떨어져, 주파수 100 KHz 에서의 700 $^{\circ}C$ 열처리 시편의 초기투자율은 1766이었으나 1000 $^{\circ}C$에서는 907로 감소하였다. 이러한 초기투자율의 감소는, 계면반응 시 페라이트의 용해 및 성분 원소들의 확산으로 인한 자성 소실부위 발생 및 계면의 페라이트 부위에 생성된 Zn농도 증가 층과의 열팽창계수 타이에 의한 잔류응력 발생에 의한 것으로 판단되었다.