• Korean Journal of Metals and Materials
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• v.49 no.6
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• pp.425-439
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• 2011

A review of the development history of interatomic potential models for ionic materials was carried out paying attention to the way of future development of an interatomic potential model that can cover ionic, covalent and metallic bonding materials simultaneously. Earlier pair potential models based on fixed point charges with and without considering the electronic polarization effect were found to satisfactorily describe the fundamental physical properties of crystalline oxides (Ti oxides, $SiO_2$, for example) and their polymorphs, However, pair potential models are limited in dealing with pure elements such as Ti or Si. Another limitation of the fixed point charge model is that it cannot describe the charge variation on individual atoms depending on the local atomic environment. Those limitations lead to the development of many-body potential models(EAM or Tersoff), a charge equilibration (Qeq) model, and a combination of a many-body potential model and the Qeq model. EAM+Qeq can be applied to metal oxides, while Tersoff+Qeq can be applied to Si oxides. As a means to describe reactions between Si oxides and metallic elements, the combination of 2NN MEAM that can describe both covalent and metallic elements and the Qeq model is proposed.

• The Korean Journal of Ceramics
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• v.5 no.4
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• pp.363-367
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• 1999

New glass ceramics were investigated for the application as substrates to be used in hard disk devices. The glass system to precipitate lithium di-silicate was studied so as to optimize the composition to realize very high surface flatness. The addition of small amount of several metal oxides with high valences had very drastic effects on the microstructure, because they played a role of crystallization agents, and consequently it determined surface flatness even after the polishing process. The possible mechanism changes of crystal growth due to the addition of metal oxides were discussed in relation to the final micro-texture development. The glass ceramics with very high surface flatness(Ra=7.1 $\AA$) was obtained by the addition of the mixture of $P-2O_5 \;and \;MoO_3$ as crystallization agents.

• Journal of Electrochemical Science and Technology
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• v.7 no.1
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• pp.1-12
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• 2016

The production of oxygen and hydrogen from solar water splitting has been considered to be an ultimate solution for energy and environmental issues, and over the past few years, nano-sized semiconducting metal oxides alone and with graphene have been shown to have great promise for use in photocatalytic water splitting. It is challenging to find ideal materials for photoelectrochemical water splitting, and these have limited commercial applicability due to critical factors, including their physico-chemical properties, the rate of charge-carrier recombination and limited light absorption. This review article discusses these main features, and recent research progress and major factors affect the performance of the water splitting reaction. The mechanism behind these interactions in transition metal oxides and graphene based nano-structured semiconductors upon illumination has been discussed in detail, and such characteristics are relevant to the design of materials with a superior photocatalytic response towards UV and visible light.

• Journal of Korean Society on Water Environment
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• v.31 no.6
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• pp.632-636
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• 2015

This study aims to evaluate arsenic adsorption efficiencies over various metal oxides (CeO₂, TiO₂, Fe₃O₄, ZrO₂, AlOOH, SiO₂, α-Al₂O₃, and γ-Al₂O₃) and investigate the correlation between physico-chemical characteristics of metal oxides and their efficiencies. From XPS, XRD BET analysis and isotherm adsorption test, TiO₂ powder showed that the best adsorption efficiency, and it's mechanism was highly depended on the chemical adsorption.

• Proceedings of the Korean Radioactive Waste Society Conference
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• 2005.11b
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• pp.86-91
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• 2005

A metal product obtained from an electrolytic reduction process, possesses less volume and radioactivity than those of the unprocessed spent oxide fuels. The chemical composition of the metal product varies according to the process condition. In this work, a basic study was performed to evaluate the chemical forms of the spent oxide fuel components in an electrolytic reduction process with the operation conditions. One of the most important operation conditions is the cell potential applied for the reduction cell. It is expected that $PU_{2}O_3$ is difficult to reduce even though the cell potential is negative enough to reduce the lithium oxide when the activity of $Li_{2}O$ exceeds 0.003. The reduction of actinide oxides via the reduction of $Li_{2}O$ is assumed to have a greater reduction yield than a direct reduction of the actinide oxides.

• Journal of Magnetics
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• v.10 no.2
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• pp.71-75
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• 2005

An effective method, i.e., the solid atom method, is suggested to obtain the Coulomb interaction parameter, U, and the Hund exchange coupling constant, J, for use in the LDA+U calculation. The par~meters are obtained self-consistently during the LDA+U calculation. The method is applied to typical transition metal oxides and $MnB^{VI}(B^{VI}=S,Se,Te)$. The U values for the transition metal oxides have similar magnitude to previous calculations although they are obtained by a much simpler method. $MnB^{VI}s$ have been characterized as crossroads materials between charge transfer and band insulators by the LDA+U calculation.

• Proceedings of the International Microelectronics And Packaging Society Conference
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• 2002.05a
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• pp.252-254
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• 2002

Metal oxides with high dielectric constants have the potential to expend scaling of transistor gate capacitance beyond that of ultrathin silicon dioxide. However, during deposition of most metal oxides on silicon, an interfacial region of SiOx is formed and limits the specific capacitance of the gate structure. We deposisted aluminum oxide and examined the composition of the interfacial layer by employing high-resolution X-ray photoelectron spectroscopy and X-ray reflectivity. We find that the interfacial region is not pure SiO$_2$, but is composed of a complex depth-dependent ternary oxide of $AlSi_xO_y$ and the pure SiO$_2$.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.11a
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• pp.349-352
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• 2004

The improvement of critical temperature $(T_c)$, critical magnetic field $(H_c)$, and critical current density $(J_c)$ of superconductor is important for practical applications. In this study, the additives such as metal oxides were used to improve the preparation conditions of $YBa_2Cu_3O_x$ superconducting bulk samples and depending on additives the properties of $YBa_2Cu_3O_x$ superconductor were studied. The effects of additives to the density, grain alignment, and porosity of samples that affect the critical current density of superconductor also have been investigated.

• Applied Science and Convergence Technology
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• v.27 no.4
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• pp.61-64
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• 2018

The basic principle and concept for hydrogen production via water-splitting process are introduced. In particular, recent research activities and their progress in the photoelectrochemical water-splitting process are investigated. The material perspectives of semiconducting photocatalysts are considered from metal oxides, including titanium oxides, to carbon compounds and perovskites. Various structural configurations, from conventional photoanodes with metal cathodes to tandem and nanostructures, are also studied. The pros and cons of each are described in terms of light absorption, charge separation/photoexcited electron-hole pair recombinations and further solar-to-hydrogen efficiency. In this research, we attempt to provide a broad view of up-to-date research and development as well as, possibly, future directions in the photoelectrochemical water-splitting field.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.217-217
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• 2011

Recently, demand for thermally stable metal nanoparticles suitable for chemical reactions at high temperatures has increased to the point to require a solution to nanoparticle coalescence. Thermal stability of metal nanoparticles can be achieved by adopting core-shell models and encapsulating supported metal nanoparticles with mesoporous oxides [1,2]. However, to understand the role of metal-support interactions on catalytic activity and for surface analysis of complex structures, we developed a novel catalyst design by coating an ultra-thin layer of titania on Pt supported silica ($SiO_2/Pt@TiO_2$). This structure provides higher metal dispersion (~52% Pt/silica), high thermal stability (~600$^{\circ}C$) and maximization of the interaction between Pt and titania. The high thermal stability of $SiO_2/Pt@TiO_2$ enabled the investigation of CO oxidation studies at high temperatures, including ignition behavior, which is otherwise not possible on bare Pt nanoparticles due to sintering [3]. It was found that this hybrid catalyst exhibited a lower activation energy for CO oxidation because of the metal-support interaction. The concept of an ultra-thin active metal oxide coating on supported nanoparticles opens-up new avenues for synthesis of various hybrid nanocatalysts with combinations of different metals and oxides to investigate important model reactions at high-temperatures and in industrial reactions.