• Bulletin of the Korean Chemical Society
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• v.31 no.4
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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.

• Journal of the Korean Ceramic Society
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• v.26 no.3
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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.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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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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• v.20 no.6
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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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• v.20 no.6
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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.

• Journal of the Korean Ceramic Society
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• v.36 no.1
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• pp.97-105
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• 1999

In the binary system of SiC and carbon, porosity and pore size distribution of green body was controlled by varying pH, by the addition of polyelectrolyte dispersants, and by using different particle size of starting powders. The preforms having different green microstructure were fabricated by slip casting from suspensions having different dispersion condition. The reaction bonding process was carried out for these preforms. The condition of reaction bonding was 1600$^{\circ}C$ and 20 min. under vacuum atmosphere. The analyses of optical and SEM were studied to investigate the effect of green microstructure on that of reaction bonded silicon carbide and subsequently the mechanical properties of sintered body was investigated. Different green microstructures were obtained from suspensions having different dispersion condition. It was found that the pore size could be remarkably reduced for a fine SiC(0.5$\mu\textrm{m}$). The bimodal microstructure was not found in the present study, which is frequently observed in the typical reaction bonded silicon carbide. It is considered that the ratio between SiC and C was responsible for the formation of bimodal microstructure. For the preform fabricated from the well dispersed suspension, the 3-point bending strength of reaction-bonded silicon carbide was 310${\pm}$40 MPa compared to the specimen fabricated from relatively agglomerated particles having lower value 260${\pm}$MPa.

• Journal of Welding and Joining
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• v.21 no.2
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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.

• Korean Journal of Materials Research
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• v.32 no.8
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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.

• Journal of the Korean Ceramic Society
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• v.33 no.12
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• pp.1414-1420
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• 1996

Using Si powder with average particle size of 8${\mu}{\textrm}{m}$ Si compacts were formed by pressureless powder packing method. The compacts were reaction bonded at 1350, 140$0^{\circ}C$ for 3~35 hrs under N2/H2 atmosphere and its microstructures were examined. Reaction bonded silicon nitrides showed nitridation of 90% and relative density of 88% After the impregnation of 5wt% MgO as sintering additive using aqueous solution of Mg nitrate the Si compacts were reaction bonded at 140$0^{\circ}C$ for 15hrs. The reaction bonded bodies were gas pressure sintered at 180$0^{\circ}C$ 190$0^{\circ}C$ 200$0^{\circ}C$ for 150, 300min. They showed relative density of 95% bending strength of 600MPa and fracture toughness of 6 MPa.m1/2.

• Journal of the Korean Magnetics Society
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• v.11 no.5
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• pp.226-231
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• 2001

The effect of interface reaction between Mn-Zn ferrite single crystal and 61 SiO$_2$-23Pbo-6ZnO-8Na$_2$O-2K$_2$O (mol%) glass on the magnetic properties of the ferrite was investigated. After the reaction, the hump of Zn concentration appeared at the ferrite adjacent to the interface. The initial permeability of the ferrite bonded with the glass at 700 $^{\circ}C$ was 1766 at 100 KHz and reduced to 907 after reaction at 1000$^{\circ}C$. The permeability degradation with increasing reaction temperature was considered to be attributed not only to the sixe diminution of the ferrite due to the its dissolution into the glass but also to the residual stress due to the difference in expansion coefficient between the ferrite and the diffusion layer-the region of the hump of Zn concentration-adjacent to the interface.