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Competitive Adsorption of CO2 and H2O Molecules on the BaO (100) Surface: A First-Principle Study

  • Kwon, Soon-Chul;Lee, Wang-Ro;Lee, Han-Na;Kim, J-Hoon;Lee, Han-Lim
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.988-992
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    • 2011
  • $CO_2$ adsorption on mineral sorbents has a potential to sequester $CO_2$. This study used a density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) in the presence of $H_2O$ to determine the role of $H_2O$ on the $CO_2$ adsorption properties on the ($2{\times}2$; $11.05\;{\AA}{\times}11.05\;{\AA}$) BaO (100) surface because BaO shows a high reactivity for $CO_2$ adsorption and the gas mixture of power plants generally contains $CO_2$ and $H_2O$. We investigated the adsorption properties (e.g., adsorption energies and geometries) of a single $CO_2$ molecule, a single $H_2O$ molecule on the surface to achieve molecular structures and molecular reaction mechanisms. In order to evaluate the coordinative effect of $H_2O$ molecules, this study also carried out the adsorption of a pair of $H_2O$ molecules, which was strongly bounded to neighboring (-1.91 eV) oxygen sites and distant sites (-1.86 eV), and two molecules ($CO_2$ and $H_2O$), which were also firmly bounded to neighboring sites (-2.32 eV) and distant sites (-2.23 eV). The quantum mechanical calculations show that $H_2O$ molecule does not influence on the chemisorption of $CO_2$ on the BaO surface, producing a stable carbonate due to the strong interaction between the $CO_2$ molecule and the BaO surface, resulting from the high charge transfer (-0.76 e).

Effects of Oxygen on Preparation of TiO2 Thin Films by MOCVD (MOCVD법에 의한 TiO2 박막의 제조에 미치는 산소의 영향)

  • Yu, Seong-Uk;Park, Byeong-Ok;Jo, Sang-Hui
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.111-117
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    • 1995
  • TiO2 thin films were prepared on a (100)silicon wafer using a chemical vapor deposition(CVD) method. The deposition experiments were performed using the TTIP in the deposition temperature ransing from 200 content. The deposition rate of TiO2 was increased with the substrate temperature and the oxygen content. The thickness of the deposited thin film and the compositional analysis of this thin films with theoxygen content were measured using Ellipsometry, SEM and ESCA, respectively. The deposited thin film was composed of a bilayer, external TiO2 and internal Ti. Carbon as a residual impurity was found to remain when zero sccm O2 was purged into a reaction chamber and the composition of the deposited thin film was found to change Ti into TiO in a deeper layer. However, when 600sccm O2 was supplied to a reaction chamber, it has been found to reside less carbon content than without O2. Finally, in the condition of 1200sccm O2, no impurity level of carbon was observed and a deeper layer consisted of the Ti composite, even though the deposited surface was composed of TiO2.

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ZnO nanostructures for e-paper and field emission display applications

  • Sun, X.W.
    • 한국정보디스플레이학회:학술대회논문집
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    • 2008.10a
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    • pp.993-994
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    • 2008
  • Electrochromic (EC) devices are capable of reversibly changing their optical properties upon charge injection and extraction induced by the external voltage. The characteristics of the EC device, such as low power consumption, high coloration efficiency, and memory effects under open circuit status, make them suitable for use in a variety of applications including smart windows and electronic papers. Coloration due to reduction or oxidation of redox chromophores can be used for EC devices (e-paper), but the switching time is slow (second level). Recently, with increasing demand for the low cost, lightweight flat panel display with paper-like readability (electronic paper), an EC display technology based on dye-modified $TiO_2$ nanoparticle electrode was developed. A well known organic dye molecule, viologen, was adsorbed on the surface of a mesoporous $TiO_2$ nanoparticle film to form the EC electrode. On the other hand, ZnO is a wide bandgap II-VI semiconductor which has been applied in many fields such as UV lasers, field effect transistors and transparent conductors. The bandgap of the bulk ZnO is about 3.37 eV, which is close to that of the $TiO_2$ (3.4 eV). As a traditional transparent conductor, ZnO has excellent electron transport properties, even in ZnO nanoparticle films. In the past few years, one-dimension (1D) nanostructures of ZnO have attracted extensive research interest. In particular, 1D ZnO nanowires renders much better electron transportation capability by providing a direct conduction path for electron transport and greatly reducing the number of grain boundaries. These unique advantages make ZnO nanowires a promising matrix electrode for EC dye molecule loading. ZnO nanowires grow vertically from the substrate and form a dense array (Fig. 1). The ZnO nanowires show regular hexagonal cross section and the average diameter of the ZnO nanowires is about 100 nm. The cross-section image of the ZnO nanowires array (Fig. 1) indicates that the length of the ZnO nanowires is about $6\;{\mu}m$. From one on/off cycle of the ZnO EC cell (Fig. 2). We can see that, the switching time of a ZnO nanowire electrode EC cell with an active area of $1\;{\times}\;1\;cm^2$ is 170 ms and 142 ms for coloration and bleaching, respectively. The coloration and bleaching time is faster compared to the $TiO_2$ mesoporous EC devices with both coloration and bleaching time of about 250 ms for a device with an active area of $2.5\;cm^2$. With further optimization, it is possible that the response time can reach ten(s) of millisecond, i.e. capable of displaying video. Fig. 3 shows a prototype with two different transmittance states. It can be seen that good contrast was obtained. The retention was at least a few hours for these prototypes. Being an oxide, ZnO is oxidation resistant, i.e. it is more durable for field emission cathode. ZnO nanotetropods were also applied to realize the first prototype triode field emission device, making use of scattered surface-conduction electrons for field emission (Fig. 4). The device has a high efficiency (field emitted electron to total electron ratio) of about 60%. With this high efficiency, we were able to fabricate some prototype displays (Fig. 5 showing some alphanumerical symbols). ZnO tetrapods have four legs, which guarantees that there is one leg always pointing upward, even using screen printing method to fabricate the cathode.

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Enhanced Reaction Kinetic of Fe3O4-graphite Nanofiber Composite Electrode for Lithium Ion Batteries

  • Wang, Wan Lin;Park, Ju-Young;Gu, Hal-Bon
    • Transactions on Electrical and Electronic Materials
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    • v.15 no.6
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    • pp.338-343
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    • 2014
  • A $Fe_3O_4$-graphite nanofiber composite for use as an anode material was successfully synthesized by calcining $Fe_3O_4$ and graphite nanofiber (GNF) together in a $N_2$ atmosphere. Using this $Fe_3O_4$-GNF composite in a lithium ion battery resulted in a higher lithium storage capacity than that obtained using $Fe_3O_4$-graphite ($Fe_3O_4$-G). The $Fe_3O_4$-GNF (10 wt%) electrode exhibited a higher lithium ion diffusion coefficient ($2.29{\times}10^{-9}cm^2s^{-1}$) than did the $Fe_3O_4$-G (10%) ($3.17{\times}10^{-10}cm^2s^{-1}$). At a current density of $100mA\;g^{-1}$, the $Fe_3O_4$-GNF (10 wt%) anode showed a higher reversible capacity ($1,031mAh\;g^{-1}$) than did the $Fe_3O_4$-G (10%) anode ($799mAh\;g^{-1}$). Moreover, the $Fe_3O_4GNF$ electrodes showed good cycling performance without the addition of a conductive material.

Biochemical properties and serotypes of pathogenic Escherichia coli isolated from poultry in Korea (가금 유래 병원성대장균의 생화학적 성상 및 혈청형)

  • Sung, Myung-Suk;Kim, Jin-Hyun;Ha, Jong-Su;Cho, Jae-Keun;Seol, Sung-Yong;Kim, Ki-Seuk
    • Korean Journal of Veterinary Research
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    • v.48 no.2
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    • pp.145-151
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    • 2008
  • This study was conducted to investigate biochemical properties and O group serotypes of pathogenic 203 Escherichia (E.) coli isolates from poultry with collibacillosis in Korea during the period from April 2003 to December 2005. Biochemical and fermentative properties of 203 isolates of E. coli tested were in accordance with Cowan and Steel's classification standard. One hundred and forty one isolates (69.5%) could be classified into a total of 20 O serotypes. Among them, the predominant O groups were O78 (32.5%), O88 (7.8%), O15 (6.8%), O141 (6.4%), and O158 (3.0%) in decreased order. Other infrequently encountered serogroups included : O8 (2%), O161 (2%), O20 (1.5%), O125 (1.5%), O2 (1%). And O6, O18, O24, O46, O76, O109, O119, O138, O139 and O148 had a frequency of 0.5%, respectively. Sixty two isolates (30.5%) were non-typeable with standard 173 O antisera used in this study.

Crystallographic Site Dependent $^{16}\textrm{O}^{18}\textrm{O}$ Exchange Reaction in Bi-2212 High $\textrm{T}_{\textrm{c}}$ Oxide Superconductors (Bi-2212산화물 고온초전도체의 결정학적 위치에 의존하는 $^{16}\textrm{O}^{18}\textrm{O}$ 교환반응)

  • Kim, Byeong-Guk
    • Korean Journal of Materials Research
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    • v.7 no.2
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    • pp.157-161
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    • 1997
  • The crystallographic site dependent substitution of $^{18}O$ for $^{16}O$ in $Bi_{2}Sr_{2}Ca_{0.8}Y_{0.2}Cu_{2}^{16}O_{8+\delta}$ has heen investigated. In the Kaman spectra of $Bi_{2}Sr_{2}Ca_{0.8}Y_{0.2}Cu_{2}^{16}O_{8+\delta}$ three prominent Raman bands are observed at 297. 464, and $623cm^{-1}$. As the $^{16}O$ arc replaced hy $^{18}O$, all the three bands shift to lower wavewnumbers. The rate of this isotopic shift is similar for the hands at 397 and $464cm^{-1}$. whereas it is quite slower for the hand at $623cm^{-1}$ '['his implys that the $^{16}O-^{18}O$ exchange reaction is crystallographic sites dependent. .Assuming a tetragonal symmetry, we assign the bands at 623. 464, and $297cm^{-1}$ to the vibrations of $O_{pl}(A_{g}),\;O_{ap}\;and\;O_{Bi}$ respectively.

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Dielectric Properties in Na2O-B2O3-SiO2 Glass Containing CoO (CoO를 함유한 Na2O-B2O3-SiO2 계 유리의 유전적 특성)

  • Lee, Chanku;Lee, Sudae;Joung, Maeng-Sig
    • Journal of Korean Ophthalmic Optics Society
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    • v.5 no.1
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    • pp.49-53
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    • 2000
  • Sodium borate silicate glass of composition $10Na_2O-39B_2O_3-50SiO_2-CoO$ and $20Na_2O-14B_2O_3-65SiO_2-CoO$ were prepared by melting oxide mixtures in alumina crucible at $1210^{\circ}C$ in an electric furance in air for 2h, and then quenching in air. The dielectric behavior of the quenched glasses are the subject of the present work. Properties such as dielectric constant and resistivity as a function frequency and temperature are reported. From the dielectric spectra, the glass phase transition temperature has been found to decrease at a rate $Na_2O$ 20 mol% and the dielectric constants increase with increasing $Na_2O$ content. The frequency dependent resistivity response of glass exhibits a non-Debye type relaxation.

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X-ray Fluorescence Analysis of Chemical Ingredients for Portland Cement (X-선 형광분석법에 의한 포틀란드 시멘트의 정량분석)

  • 임헌진;백연봉;김도생;윤준수;이경원
    • Journal of the Korean Ceramic Society
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    • v.33 no.8
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    • pp.928-934
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    • 1996
  • Quantitative analysis each portland cement components was conducted by standard calibration method using X-ray fluorescence spectrometer. Standard sample and the unknown sample were prepared by fused cast bead method. In checking the errors of standard cement 227A372 the relative errors of constituents such as CaO, SiO2, Al2O3, Fe2O3, MgO and SrO were less than 1% and the relative errors of constituents such as So3, K2O, TiO2, Na2O P2O5, and Mn2O3 were less than 5% Sample preparation was mainly contributed to the errors. Compared with general wet chemical method the results of X-ray fluorescence analyses were more precise and accurate. Moreover it is possible to analyze precisely a little amount of the constituents such as SrO, Mn2O3 and P2O5 the analyses of which were very difficult using the wet chemical method.

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Studies on the Molybdenum Complexes with Tridentate Schiff Base Ligand (I) (세자리 Schiff Base 리간드의 몰리브덴 착물에 관하여 (제1보))

  • Ki Hyung Chjo
    • Journal of the Korean Chemical Society
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    • v.17 no.3
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    • pp.169-173
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    • 1973
  • The tridentate schiff base ligand, salicyliden amino-o-hydroxy benzene, has derived from salicylaldehyde and o-amino phenol. This ligand reacts with a series of Mo (VI), Mo (V), Mo (IV), and Mo (III) oxidated states and forms a new complexes; [Mo O$_2(H_2O)\;(C_{13}H_9O_2N)]$, [MoO Cl$(H_2O)\;(C_{13}H_9O_2N)]$, [Mo(SCN)$_2(H_2O)\;(C_{13}H_9O2_N)]$$[Mo(H_2O)_2\;(C_{13}H_9O_2N)]_2O$. The Mo (VI), Mo(V) and Mo(Ⅳ) ions in these complexes are octahedron, hexa coordinate, and the mole ratio of these ions to the ligand are 1 : 1, but Mo (III) Complex is a Mo-O-Mo oxygen bridge bond and polynuclear, and the mole ratio of Mo (III) to the ligand 1 : 1 above facts are identified from the data of Infrared spectra, visible spectra, and elemental analysis.

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Fruit Wall Anatomy of Ocotea (Lauraceae)

  • Heo, Kweon
    • Korean Journal of Plant Resources
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    • v.9 no.3
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    • pp.298-304
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    • 1996
  • The fruit wall anatomy of Ocotea was investigated on the basis of 14 species within the genus to contribute to a better understanding of specific relationships and homogeneity of genus. The species have a similar mature fruit wall structure, but diUerences among the species are found with respect to whether or not sdc.nchyma cells are present in the mesocarp. if present, whether or not they are present in particular positions and forms. Comparisons with species studied suggested that at least a few groups of species can be distinguished in Ocotea. They arc divided into five groups on the basis of anatomical structures. i.e., group 1) O. atrriensis, O. cujumari, O. helicterifolia, O. rubra and O. schomburgkiana; group 2) O. aeiphylla, O. javitensis, and O. sp. [Werff et ai. 12676]; group 3) O. tonduzii: group 4) O. foetens, O. quixos, and O. veraguensis; and group 5) O. floribunda and O. nitida. These various variations in Ocntea were also discussed to invite its respective systematic revisions. By the comparisons with species, on the other hand, it suggested that the specialized species are evolved from non-specialized species.

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