• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.246-246
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• 2016

Tungsten-nitrogen (W-N) co-doping has been known to enhance the photocatalytic activity of anatase titania nanoparticles by utilizing visible light. The doping effects are, however, largely dependent on calcination or annealing conditions, and thus, the massive production of quality-controlled photocatalysts still remains a challenge. Using density functional theory (DFT) thermodynamics and time-dependent DFT (TDDFT) computations, we investigate the atomic structures of N doping and W-N co-doping in anatase titania, as well as the effect of the thermal processing conditions. We find that W and N dopants predominantly constitute two complex structures: an N interstitial site near a Ti vacancy in the triple charge state and the simultaneous substitutions of Ti by W and the nearest O by N. The latter case induces highly localized shallow in-gap levels near the conduction band minimum (CBM) and the valence band maximum (VBM), whereas the defect complex yielded deep levels (1.9 eV above the VBM). Electronic structures suggest that substitutions of Ti by W and the nearest O by N improves the photocatalytic activity of anatase by band gap narrowing, while defective structure degrades the activity by an in-gap state-assisted electron-hole recombination, which explains the experimentally observed deep level-related photon absorption. Through the real-time propagation of TDDFT (rtp-TDDFT), we demonstrate that the presence of defective structure attracts excited electrons from the conduction band to a localized in-gap state within a much shorter time than the flat band lifetime of titania. Based on these results, we suggest that calcination under N-rich and O-poor conditions is desirable to eliminate the deep-level states to improve photocatalysis.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.5 no.4
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• pp.414-422
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• 1995

Coal fly ash was calcined and elutriated for recycling as ceramic raw materials. C Crystal phases, morphologies, chemical components, particle size distributions and Ig. loss of as-received, calcined and elutriated coal fly ash were investigated to study the effects of the calci nation and elutriation on the coal fly ash classification. The experimental equations, which were used in elutriation of clay, were examined in order to find out which equation is appropriated for coal fly ash classification. It turned out that Rittinger's equation is relatively well matched for the fly ash. Having nothing to do with the treatment conditions, the crystal phases of coal f fly ash were mullite, quartz. Calcite peak was detected in as - received and elutriated coal fly a ash; however, it disappeared in calcined coal fly ash. As - received coal fly ash consists of various type of particles such as a cenosphere, coke type, silicate type, whisker type and aggregat e ed type. In case of calcined coal fly ash, coke type particles were eliminated and agglomerated type particles were relatively increased. Most of the particles that were relatively spherical cenosphere in the 4th step of elutriator. Particle size distribution was narrowed by calcination a and elutriation. Especially, in elutriation, particle size distribution was very narrow.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.26 no.2
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• pp.104-108
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• 2013

In this paper, the $0.95(Na_{0.5}K_{0.5})_{0.04}[(Nb_{0.8}Ta_{0.20})_{0.994}Co_{0.015}]O_3$(abbreviated as NKNT) + $0.05KNbO_3$ lead-free piezoelectric ceramics were synthesized by the conventional mixed oxide method route with normal sintering. And also, the effects of calcination temperature on the microstructure, dielectric properties, and piezoelectric properties were investigated. A polymorphic phase transition(PPT) between orthorhombic and tetragonal phases was observed in specimens calcined at $810^{\circ}C{\sim}850^{\circ}C$. The ceramics calcined at $830^{\circ}C$ showed excellent piezoelectric properties: $d_{33}$= 179 pC/N, $k_p$= 0.384, $Q_m$= 79.73). These results indicate that the ceramic is a promising candidate material for lead-free piezoelectric ceramics.

• Korean Journal of Materials Research
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• v.12 no.12
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• pp.930-934
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• 2002

Nanosized $WO_3$ powders were synthesized by the sol-precipitation process using $WCl_{6}$ as the starting material, ethanol as a solvent and $NH_4$OH solution as a precipitant, followed by a washing-drying treatment and calcination. The effects on the powder crystallinity and microstructure of calcination temperature were investigated with XRD and FE-SEM. The $WO_3$ powders calcined at $500^{\circ}C$ and $700^{\circ}C$ showed good crystallinity and their mean particle size was 30nm and 70nm, respectively. These powders were used for the preparation of pastes which were printed as thick films on alumina substrates with comb-type Pt electrodes. The particle size strongly influenced the $NO_2$ gas sensing property of the thick films. A significant reduction in the $NO_2$ sensitivity was observed for the film prepared from larger particle size, having thus a larger grain size. For the film having a smaller grain size, on the other hand, the higher $NO_2$ sensitivity was observed and the sensitivity increased with $NO_2$ concentration.

• Korean Journal of Materials Research
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• v.23 no.10
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• pp.543-549
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• 2013

The purpose of this paper was to investigate the effect of a high-energy milling (HEM) process on the particle morphology and the correlation between a thermal treatment and tetragonal/monoclinic nanostructured zirconia powders obtained by a precipitation process. To eliminate chloride residue ions from hydrous zirconia, a modified washing method was used. It was found that the used washing method was effective in removing the chloride from the precipitated gel. In order to investigate the effect of a pre-milling process on the particle morphology of the precipitate, dried $Zr(OH)_4$ was milled using a HEM machine with distilled water. The particle size of the $Zr(OH)_4$ powder exposed to HEM reduced to 100~150 nm, whereas that of fresh $Zr(OH)_4$ powder without a pre-milling process had a large and irregular size of 100 nm~1.5 ${\mu}m$. Additionally, modified heat treatment process was proposed to achieve nano-sized zirconia having a pure monoclinic phase. It was evident that two-step calcining process was effective in perfectly eliminating the tetragonal phase, having a small average particle of ~100 nm with good uniformity compared to the sample calcined by a single-step process, showing a large average particle size of ~300 nm with an irregular particle shape and a broad particle size distribution. The modified method is considered to be a promising process for nano-sized zirconia having a fully monoclinic phase.

• Korean Chemical Engineering Research
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• v.51 no.3
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• pp.352-357
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• 2013

In this study, the pellet-type adsorbents were prepared by extrusion using water treatment sludge. Effects of binder and calcination on physical and chemical properties of pellet-type adsorbents were investigated. The porous structure and surface characteristics of the adsorbents were studied using nitrogen adsorption, compression strength, scanning electron microscope, X-ray diffraction, and infrared spectroscopy of adsorbed pyridine. With increasing of binder content to 5 wt%, the compressive strength of pellet-type adsorbent could be improved more than three times, but the surface area reduced by 30%, and thus the breakthrough time of trimethylamine was shortened. The breakthrough time of the trimethylamine, a basic gas, could be increased more than three times through calcination, which seems to be due to generation of acid sites composed of Lewis acid and Br$\ddot{o}$nsted acid sites on the adsorbent surface.

• Korean Chemical Engineering Research
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• v.49 no.6
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• pp.857-864
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• 2011

Oxy-fuel combustion with many advantages such as high combustion efficiency, low flue gas flow rate and low NOx emission has emerged as a promising CCS technology for coal combustion facilities. In this study, the effects of the direct sulfation reaction on $SO_2$ removal efficiency were evaluated in a drop tube furnace under typical oxy-fuel combustion conditions represented by high concentrations of $CO_2$ and $SO_2$ formed by gas recirculation to control furnace combustion temperature. The effects of the operating parameters including the reaction temperature, $CO_2$ concentration, $SO_2$ concentration, Ca/S ratio and humidity on $SO_2$ removal efficiency were investigated experimentally. $SO_2$ removal efficiency increased with reaction temperature up to 1,200 due to promoted calcination of limestone reagent particles. And $SO_2$ removal efficiency increased with $SO_2$ concentrations and the humidity of the bulk gas. The increase of $SO_2$ removal efficiency with $CO_2$ concentrations showed that $SO_2$ removal by limestone was mainly done by the direct sulfation reaction under oxy-fuel combustion conditions. From the impact assessment of operation parameters, it was shown that these parameters have an effects on the desulfurization reaction by the order of the Ca/S ratio > residence time > $O_2$ concentration > reaction temperature > $SO_2$ concentration > $CO_2$ concentration > water vapor. The semi-empirical model equation for to evaluate the effect of the operating parameters on the performance of in-furnace desulfurization for oxy-fuel combustion was established.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2669-2672
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• 2014

Double bond migration of butene-2 to butene-1 over ${\eta}$-alumina was investigated. The effects of calcination temperature on catalytic properties were analyzed by applying BET surface area, XRD, $NH_3$-TPD, and FT-IR of adsorbed pyridine techniques. The highest activity of the ${\eta}$-alumina catalyst calcined at $600^{\circ}C$ could be attributed not only to the highest amount of weak and medium strength acid sites, but also to the highest ratio of medium to weak strength Lewis acid sites.

• Carbon letters
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• v.14 no.2
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• pp.99-104
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• 2013

We investigated the effects of parametric synthesis conditions of catalysts such as sintering temperature, sorts of supports and compositions of catalysts on alignment and length-control of carbon nanotubes (CNTs) using catalyst powders. To obtain aligned CNTs, several parameters were changed such as amount of citric acid, calcination temperature of catalysts, and the sorts of supports using the combustion method as well as to prepare catalyst. CNTs with different lengths were synthesized as portions of molybdenum and iron using a chemical vapor deposition reactor. In this work, the mechanisms of alignment of CNTs and of the length-control of CNTs are discussed.

• Korean Journal of Materials Research
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• v.9 no.1
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• pp.51-56
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• 1999

The $BaTiO_3$ powders were synthesized by GNP (Glycine-Nitrate process). The powders were prepared using carbonate and alkoxide as starting materials and nitric acid was used as a solvent for starting materials as well as an oxidant for combustion. the effects of aggregates in $BaTiO_3$ powders on green densities, sintering and dielectric characteristics were investigated. When the glycine/cation molar ratio was 1.2, reactivity of self-combustion was most intensive and the degree of aggregates after calcination was low. On sintering at $1400^{\circ}C$, maximum theoretical relative density(94.99%%0 was obtained in case of 1.2 molar ratio of glycine/cation. The dielectric constant of this sintered $BaTiO_3$ was 1919.