• Journal of the Korean Ceramic Society
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• v.52 no.5
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• pp.331-337
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• 2015

$LaBO_3$ (B = Cr, Mn, Fe, Co, and Ni) perovskites, the most common perovskite-type mixed ionic-electronic conductors (MIECs), are promising candidates for intermediate-temperature solid oxide fuel cell (IT-SOFC) cathodes. The catalytic activity on MIEC-based cathodes is closely related to the bulk ionic conductivity. Doping B-site cations with other metals may be one way to enhance the ionic conductivity, which would also be sensitively influenced by the chemical composition of the dopants. Here, using density functional theory (DFT) calculations, we quantitatively assess the activation energies of bulk oxide ion diffusion in $LaBO_3$ perovskites with a wide range of combinations of B-site cations by calculating the oxygen vacancy formation and migration energies. Our results show that bulk oxide ion diffusion dominantly depends on oxygen vacancy formation energy rather than on the migration energy. As a result, we suggest that the late transition metal-based perovskites have relatively low oxygen vacancy formation energies, and thereby exhibit low activation energy barriers. Our results will provide useful insight into the design of new cathode materials with better performance.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.04a
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• pp.408-412
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• 2004

A total of 23 springs distributed in the southern and northern sides of Mt. Hala in Jeju Island were seasonally sampled and analyzed for their major ion chemistry and oxygen and hydrogen isotope compositions to investigate their hydrogeochemical and isotopic characteristics. Dissolved ion concentrations of the south-side springs slightly increase with decreasing altitude. This indicates that dissolved ion concentrations of groundwater recharged at higher altitudes increase by water-rock interaction during the downgradient migration of groundwater through highly permeable volcanic aquifer. Dissolved ion concentrations of the north-side springs also slightly increase with decreasing altitude, but dramatically increase at ～300 m.a.s.l. This may indicate a sudden input of contaminants to the north-side groundwater system around ～300 m.a.s.l. Springs located in areas above ～300 m.a.s.l. have very low concentrations of dissolved ions, showing little seasonal variations. Whereas springs located in areas below ～300 m.a.s.l. show a big seasonal variation in the concentration of dissolved ions. Seasonal variation of oxygen isotope compositions of springs is ～3$\textperthousand$ for high-altitude springs (～1700 m.a.s.l.) and is ～2$\textperthousand$ near shore, indicating an attenuation of the variation through mixing with other groundwater bodies during migration.

• Korean Journal of Materials Research
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• v.18 no.12
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• pp.673-677
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• 2008

Calcia (CaO) stabilized cubic-$HfO_2$ is studied by density functional theory (DFT) with generalized gradient approximation (GGA). When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality. The lattice parameter of a $2{\times}2{\times}2$ cubic $HfO_2$ supercell then increases by $0.02\;{\AA}$. The oxygen atoms closest to the oxygen vacancy are attracted to the vacancy as the vacancy is positive compared to the oxygen ion. When the oxygen vacancy is located at the site closest to the Ca atom, the total energy of $HfO_2$ reaches its minimum. The energy barriers for the migration of the oxygen vacancy were calculated. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, and 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites relative to the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in the $HfO_2$ gate dielectric is 0.24 eV, which can explain the origin of gate dielectric leakage.

• Journal of the Korean Magnetic Resonance Society
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• v.5 no.1
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• pp.1-12
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• 2001

ZSM-5 gallosilicate molecular sieves was synthesized and cupric ion was ion-exchanged into the gallosilicate. The locations of Cu(ll) species in the framework and their interactions with various adsorbates were characterized by combined electron spin resonance(ESR) and electron spin echo modulation(ESEM) methods. It was found that in a fresh hydrated material, Cu(II) is octahedrally coordinated to six water molecules. This species is located in the channel intersections of two sinusoidal channels and rotates rapidly at room temperature. Evacuation removes some of these water molecules, leaving the Cu(II) coordinated to less water molecules and anchored to of oxygens in the channel wall. Dehydration produces two Cu(II) species, both of which are located in sites inaccessible to oxygen as evidenced by non-broadening of its ESR lines by oxygen. Adsorption of adsorbate molecules such as water, alcohols, ammonia, acetonitrile and ethylene on dehydrated CuNaH-ZSM-5 gallosilicate materials causes changes in the ESR spectrum of Cu(II), indicating the migration of Cu(II) into main channels to form complexes with these adsorbates there. Cu(II) forms a complex with two molecules of methanol, ethanol and propanol, respectively as evidenced by ESR parameters and ESEM data. Cu(II) also forms a square planar complex with four molecules of ammonia, based on the resolved nitrogen superhyperfine interactions and their ESEM parameters. Cu(II) forms a complex with two molecules of acetonitrile based on the ESR parameters and ESEM data. Interestingly, however, only part of Cu(II) interacts indirectly with one molecule of nonpolar ethylene based on ESR and ESEM analyses.

• Proceedings of the KWS Conference
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• 2002.10a
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• pp.65-69
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• 2002

An Al film deposited on the Kovar alloy substrate was anodically-bonded to the borosilicate glass, and the bond interfaces was closely investigated by transmission electron microscopy. Al oxide was found to form a layer ~l0 nm thick at the bond interface, and fibrous structure of the same oxide was found to grow epitaxially in the glass from the oxide layer. The fibrous structure grew with the bonding time. The mechanism of the formation of this fibrous structure is proposed on the basis of the migration of Al ions under the electric field. Penetration of Al into glass beyond the interfacial Al oxide was not detected. The comparison of the amount of excess oxygen ions generated in the alkali depletion layer with that incorporated in the Al oxide suggests that the growth of the alkali-ion depletion layer is controlled by the consumption of excess oxygen to form the interfacial Al oxide.

• Journal of the Korean Ceramic Society
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• v.25 no.4
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• pp.390-398
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• 1988

Effects of atmospheres and adidtives on the grain growth of TiO2 ceramics were investigated. In the range of 1300~140$0^{\circ}C$, grain growth was increased in CO2 as compared with O2 atmosphere and the grain boundary migration activation energy was lower than the diffusion activation energy of oxygen ion in TiO2. Also, in the case of addition of oxides, the grain growth was increased by oxides acting as a acceptor andinhibited by oxides acting as a donor. From the above results, when the oxygen vacancy concentration was increased, the intrinsic grain boundary mobility was increased and the pore drag force was decreased due to the rapid densification. Also it seems that the pore was migrated by the surface diffusion rather than lattice diffusion.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.29 no.5
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• pp.268-273
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• 2016

In this study, we observed current-voltage characteristics of the MIM (metal-insulator-metal) structure. The $WO_x$ material was used between metal electrodes as the oxide insulator. The structure of the $Al/WO_x/TiN$ shows bipolar resistive switching and the operating direction of the resistive switching is clockwise, which means set at negative voltage and reset at positive voltage. The set process from HRS (high resistance state) to LRS (low resistance state) occurred at -2.6V. The reset process from LRS to HRS occurred at 2.78V. The on/off current ratio was about 10 and resistive switching was performed for 5 cycles in the endurance characteristics. With consecutive switching cycles, the stable $V_{set}$ and $V_{reset}$ were observed. The electrical transport mechanism of the device was based on the migration of oxygen ions and the current-voltage curve is following (Ohm's Law ${\rightarrow}$ Trap-Controlled Space Charge Limited Current ${\rightarrow}$ Ohm's Law) process in the positive voltage region.

• Journal of Sensor Science and Technology
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• v.9 no.3
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• pp.203-207
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• 2000

The sensitivity of ISFET glucose sensor is improved by employing amperometric actuation method. However, this method takes long time to recover the primary output voltage after measurement because of slow migration of the hydrogen ion between internal and external sensing membranes. Consequently, such a recovery-time delaying problem is one of obstacles to a practical use. In this paper, a new method is proposed to control the concentration of hydrogen ion in internal membrane, which applies a reduction potential to the working electrode for supplying hydroxide ion. Experimental results show that the recovery-time was reduced within 2 minute against decades minute of conventional method.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2007.04a
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• pp.3-17
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• 2007

This paper provides an introduction to life-span simulation and numerical approach to support the performance design processes of reinforced concrete structures. An integrated computational system is proposed for life-span simulation of reinforced concrete. Conservation of moisture, carbon dioxide, oxygen, chloride, calcium and momentum is solved with hydration, carbonation, corrosion, ion dissolution. damage evolution and their thermodynamic/mechanical equilibrium. Coupled analysis of mass transport and damage mechanics associated with steel corrosion is presented for structural performance assessment of reinforced concrete. Multi-scale modeling of micro-pore formation and transport phenomena of moisture and ions are mutually linked for predicting the corrosion of reinforcement and volumetric changes. The interaction of crack propagation with corroded gel migration can also be simulated. Two finite element codes. multi-chemo physical simulation code (DuCOM) and nonlinear dynamic code of structural reinforced concrete (COM3) were combined together to form the integrated simulation system. This computational system was verified by the laboratory scale and large scale experiments of damaged reinforced concrete members under static loads, and has been applied to safety and serviceability assessment of existing structures. Based on the damage details predicted by the nonlinear finite element analytical system, the life-span-cost of RC structures including the original construction costs and the repairing costs for possible damage during the service life can be evaluated for design purpose.

• Corrosion Science and Technology
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• v.19 no.6
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• pp.281-287
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• 2020

Chloride ion is one of the most important corrosive agents in atmospheric corrosion, especially in marine environments. It has high adsorption rate and increases the conductivity of electrolytes. Since chloride ions affect the protective properties and the surface composition of the corrosion product, they increase the corrosion rate. A low level of chloride ions leads to uniform corrosion, whereas a high level of chloride ions may induce localized corrosion. However, higher solution temperatures tend to increase the corrosion rate by enhancing the migration of oxygen in the solution. This work focused on the effect of NaCl concentration and temperature on galvanic corrosion between A516Gr.55 carbon steel and AA7075T6 aluminum alloys. When AA7075T6 aluminum alloy was galvanically coupled to A516Gr.55 carbon steel, AA7075T6 was severely corroded regardless of NaCl concentration and solution temperature, unlike the corrosion properties of single specimen. The combined effect of surface treatment involving carbon steel and aluminum alloy on corrosion behavior was also discussed.