• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.402-404
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• 2009

The band structures and the densities of states at the Fermi energy for rutile, anatase and brookite phases are investigated along with the structure-photocatlaytic relationship by using DFT method. Bands are less dispersive in anatase phase than in rutile phase, and they are almost flat in brookite phase. As a result, the DOS value near the Fermi energy for brookite is highest among three types of $TiO_{2}$, which means that the numbers of electrons near the Fermi energy are largest in brookite. The calculation shows that brookite phase may exhibit highest photocatalytic efficiency among three types of $TiO_{2}$.

• Journal of the Korean Ceramic Society
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• v.42 no.7 s.278
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• pp.461-468
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• 2005

Transparent TiO$_{2}$ sols were prepared by hydrothermal synthesis to heat Ti precursor solutions, from Ti hydroxides obtained with neutralizing aqueous TiOCl$_{2}$ solutions having various concentrations of NaCI by aqueous NaOH solution, in the autoclave at 120$^{\circ}C$ The photocatalytic abilities of glass beads coated with the sol for gaseous benzene were evaluated. As a result, it was found that due to the increase of brookite phase in TiO$_{2}$ by controlling the concentration of Na ion the optical absorption of TiO$_{2}$ increases toward long wavelength but that in the area of short wavelength becomes relatively low and consequently the photocatalytic performance of TiO$_{2}$ thin film for benzene gas rather decreases, compared to that of composite film of anatase and brookite phases. These results suggest that in order for coated TiO$_{2}$ thin film to have high dissociation performance for benzene gas it is effective to form anatase and brookite phases compositely in TiO$_{2}$.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.466.1-466.1
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• 2014

$TiO_2$는 저렴한 가격, 적절한 bandgap, 열적, 화학적, 생물학적 안정성 등으로 촉망받는 광촉매 물질이다. $TiO_2$는 rutile (tetragonal, space group: P42/mnm), anatse (tetragonal, space group: I41/amd), and brookite (orthorhombic, space group: Pbca )의 3가지 대표적인 결정구조를 가지고 있다. Rutile과 anatase는 1972년 Fujishima와 Honda가 $TiO_2$의 광촉매 특성을 발견 한 후로 아주 많은 연구가 되어왔다. 반면 brookite의 경우는 자연에 거의 존재하지 않으며, 합성방법도 어려워서 rutile과 anatase에 비해 많은 연구가 되지 않았다. 본 연구에서는 brookite를 포함한 다양한 $TiO_2$ 나노구조를 간단한 수열합성법으로 티타늄 호일 위에 합성하였다. 합성된 $TiO_2$는 반응 온도와 시간, additive의 농도에 따라서 sheet, tube, wire, pyramidal 의 4가지 morphologies를 가졌다. 이 다양한 morphologies은 SEM과 TEM으로 분석되었으며, 각 물질의 결정 구조는 XRD분석과 TEM의 SAED pattern 분석으로 sheet, tube, wire은 anatase, pyramidal 구조는 brookite라는 것이 확인 되었다. 위의 방법으로 합성된 각각의 $TiO_2$ 물질들을 working 전극으로, Pt와 Ag/AgCl을 reference와 counter 전극으로 만들어서 photoelectrochemical 특성을 측정해서 비교를 해보았을 때, brookite 물질이 anatase보다 더 좋은 photoelectrochemical 특성을 나타내는 것을 확인하였다.

• Korean Journal of Materials Research
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• v.12 no.12
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• pp.947-954
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• 2002

HCl concentration and reaction time are the decisive factors in determining the structure of precipitates in the process of synthesis of $TiO_2$ particles from aqueous $TiOCl_2$ solution by precipitation and the volumetric proportion of brookite phase in $TiO_2$ particles can be controlled by these two factors. As reaction rate increases with increase of reaction temperature, the reaction time, at which maximum volumetric proportion of brookite phase in $TiO_2$ particles was obtained, was reduced. The brookite was transformed directly to rutile phase with only increase of reaction time. And precipitation was delayed with increase of HCl concentration because the amount of $H_2$O, which is necessary source of oxygen for conversion of $Ti^{+4}$ to $TiO_2$, was relatively reduced with increase of that. Brookite in the mixture phase powder was finally transformed to rutile phase via anatase through heat-treatment.

• Applied Chemistry for Engineering
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• v.16 no.6
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• pp.785-789
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• 2005

$TiO_2$ powders with rutile and brookite phases were synthesized through homogeneous precipitation of the aqueous $TiOCl_2$ solution, prepared from $TiCl_4$ and HCl solution, and their properties were characterized. Based on the analytical results appropriate molar ratios of ${Cl^-}_{total}:Ti^{+4}$ in precipitating solution for synthesis of pure rutile phase and a mixture of rutile and brookite phases were proposed. The volumetric proportion of brookite increased with increasing HCl concentration under a typical condition obtaining mixed phase of rutile and brookite. The brookite phase in the mixture was transformed to anatase phase by heat treatment at about $800^{\circ}C{\sim}850^{\circ}C$, and finally converted to rutile phase at $1000^{\circ}C$.

• Applied Chemistry for Engineering
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• v.22 no.1
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• pp.21-25
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• 2011

In this study, anatase/brookite hybrid $TiO_2$ was prepared using different acid catalysts and microwave to improve photodegradation of organic pollutants. The methylene blue photodegradation properties of the prepared photocatalysts with different particle/crystal size and brookite fractions were investigated. Surface characteristics and particle sizes of anatase/brookite hybrid $TiO_2$ were evaluated using scanning electron microscopy (SEM) and laser diffraction particle size analyzer, respectively and crystal structures were investigated with X-ray diffraction (XRD). Methylene blue photodegradation properties were evaluated with UV-vis spectrophotometer. Anatase and anatase/brookite hybrid $TiO_2$ had less than 500 nm size of clusters and the average particle size of $6.66{\sim}6.85{\mu}m$, suggesting that types of acid catalysts did not affect the size. XRD of the prepared $TiO_2$ showed that the photocatalysts had anatase/brookite hybrid crystal structure and applying microwave did not change their crystal structure. Photodegradation of methylene blue with the prepared photocatalyst did not increased proportionally to the fraction of brookite and the crystal size and decreased when brookite fraction and the crystal size increased further. Anatase/brookite hybrid $TiO_2$ with brookite fraction of 9.4% and crystal size of 4.53 nm shows the best photodegradation activity of methylene blue.

• Applied Chemistry for Engineering
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• v.18 no.6
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• pp.545-551
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• 2007

HCl concentration, reaction temperature, and $Ti^{4+}$ concentration are the decisive factors in determining the structure of precipitates in the process of synthesis of $TiO_2$ particles from aqueous $TiCl_4$ solution by precipitation and the volumetric proportion of brookite phase in $TiO_2$ particles can be controlled by these factors. Pure brookite-type $TiO_2$ nanoparticles were synthesized by heating the aqueous $TiCl_4$ solution with no more than 1.0 M of $Ti^{4+}$, in which the concentration of HCl was kept in the range of about 2.53~6.41 M during reaction, at the temperature below $70^{\circ}C$ for 20 h. Also, Pure brookite was finally transformed to a rutile phase via an anatase phase through heat-treatment.

• Applied Microscopy
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• v.29 no.1
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• pp.95-103
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• 1999

Microstructural observations on the pseudo-brookite $MgTi_2O_5$ and the similar type of $(In_{0.36}Zn_{1.09})Ti_2O_{5.64}$ were carried out using a top-entry HRTEM working at 200 kV. The modulated structures were found in $(In_{0.36}Zn_{1.09})Ti_2O_{5.64}$, however, not in $MgTi_2O_5$. The electron diffraction patterns of sublattice in $(In_{0.36}Zn_{1.09})Ti_2O_{5.64}$ are quite similar to those of pseudo-brookite $MgTi_2O_5$. but the complicated superlattice reflections are present in the diffraction patterns. Four types of modulations have been found. The periodicities for the modulated structure are found to be 3.63 nm, 0.79 nm and 0.64 nm along [220] direction, and 0.81 nm along [420] direction. The phase transition from the modulated structure to the unmodulated one was also observed in situ due to the electron beam irradiation reversibly. Further damage by the electron beam made the crystal to be fragmented into many small crystals with the formation of the voids at the kinks in ledged structure of the surface. The anisotropic arrangements of In and O atoms in $(In_{0.36}Zn_{1.09})Ti_2O_{5.64}$ might cause the compound to be unstable under the electron beam.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2006.05a
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• pp.117-120
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• 2006

$TiOCl_2$를 중화시키고 과산화수소와 반응시켜 Ti peroxo 전구체를 수열합성법을 이용하여 autoclave 반응기 내에서 가열하여 $TiO_2$ 졸을 제조하였다. Autoclave 반응기 내에 압력을 가하면 브룩카이트상 $TiO_2$졸이 형성됨을 확인하였고, 중화과정에서 NaCl을 첨가하여 Ti 수산화물 격자 내에 Na 이온을 포획되어 브룩카이트상이 나타남을 알 수 있었다. Na 이온의 첨가량에 따라 브룩카이트 결정상 함량이 달라져 광촉매 활성도 달라짐을 브룩카이트상 $TiO_2$가 코팅된 박막의 기상벤젠 광분해 실험을 통해 확인하였고 미세구조, 결정성, 광흡수도률 측정하여 특성평가를 실시하였다.

• Journal of Conservation Science
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• v.16 s.16
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• pp.64-76
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• 2004

This study was performed by chemical analysis and metallographic observation. Chemical properties were analized by ICP, XRD and SEM-EDS and slag structures were observed by microscope and SEM. Total Fe amounts in A, C area of slag can be observed $39\~45\%$ by chemical analysis results. It was average of acient times. CaO was $3\~8\%$. It's not plentiful but we think that was artificial. Ti was found in A area a little, and Ti, V were found in C area so much. The compounds, as if Fayalite, Wustite, Magnetite, Ilmenite, Pseudo-brookite, Ulvospinel, Forsterite, Fephroite, Olivine were observed in the result XRD. These structures were also observed in microscope and SEM image. Therefore, The furnance of A area usually used an iron mine, An Iron furnance of C area considered it which refined using a raw iron mine and a raw iron sand.