• Title/Summary/Keyword: Crystal structure analysis

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Single crystal growth and structure analysis of superionic conductor ${\beta}-Ag_3SI$ (초이온도전체 ${\beta}-Ag_3SI$의 단결정 육성과 결정구조 해석)

  • Nam Woong Cho;Kwang Soo Yoo;Hyung Jin Jung
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.4 no.1
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    • pp.63-70
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    • 1994
  • Single crystals of the superionic conductor ${\beta}-Ag_3SI$ were prepared by thermal treatmentr from the reactant mixture of AgI and $Ag_2S$. The growing single crystals were made to spherical shape of $200{mu}m$ in diameter. The detailed structures analyses revealed that $Ag^+$ in ${\beta}-Ag_3SI$ distribute on 12h site of 4-coordination inpreference to 3c site of 6-coordination. The effective one-particle potential (o.p.p.). of $Ag^+$ along [110] direction was evaluated from the probability density function(p.d.f.) Activation energy calculated from the o.p.p. curve has been found to be 0.012 eV for the diffusion of $Ag^+$ on (001) plane in the ${\beta}-Ag_3SI$ structure.

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Effect of Adding WO3 on Photocatalytic Property of TiO2 Coated Coal Fly Ash (WO3 피복 석탄회의 광촉매 특성에 미치는 TiO2의 첨가 효과)

  • Yu, Yeon-tae;Kim, Byoung-gyu
    • Korean Journal of Materials Research
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    • v.13 no.10
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    • pp.691-696
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    • 2003
  • To improve the photocatalyticactivity of $TiO_2$-coated coal fly ash, tungsten hydroxide was doped by impregnation method and was oxidized by heat treatment in temperature ranges of $WO^{\circ}C$ for 2 hrs. The changes of crystal structure and crystal size of $TiO_2$and $WO_3$on coal fly ash were investigated by X-ray diffraction analysis. The crystal structure of titanium dioxide showed only anatase type and $TiO_2$-$WO_3$ compounds appeared in the heat treatment temperature ranges of $500∼600^{\circ}C$. By adding $V_3$in $TiO_2$coated on fly ash, the growth of crystal size of anatase was restrained and the anatase phase was stabilized in temperature ranges of TEX>$500∼<800^{\circ}C$. And $WO_3$acted as a trap site of electrons excited from anatase by irradiating UV. The maximum removal efficiency of NO gas for $TiO_2$/$WO_3$-coated coal fly ash was 84% and appeared when the ammonium tungstate of $1.3${\times}$10^{-3}$ M was doped and then heated at $600^{\circ}C$ for 2 hrs.

"KALEIDOSCOPIC" TOPOCHEMICAL PHOTOPOLYMERIZATION BEHAVIOR OF DIOLEFIN COMPOUNDS

  • Hasegawa, Masaki;Chung, Chan-Moon;Kinbara, Kazushi
    • Journal of Photoscience
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    • v.4 no.3
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    • pp.147-160
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    • 1997
  • INTRODUCTION : Various types of organic reactions in the crystalline state, so-called "topochemical reaction", have been reported in this century." Among the reactions, [2+2] photocycloaddition of diolefin crystals are one of the most intensively investigated examples. In the topochemical reaction in a pure sense, the space group symmetry is perfectly preserved throughout the reaction as were demonstrated by the crystalline-state photopolymerization of 2,5-distyrylpyrazine (2,5-DSP) and photodimerization of propyl $\alpha$-cyano-4-[2-(4-pyridyl) ethenyl]cinnamate. 2,5-DSP was initially prepared by Franke and in 1958 Koelsch and Gumprecht described briefly in their article of diazine-derivatives that it was found that the compound (2,5-DsP) was converted into a colorless insoluble polymer (\ulcorner) dec. 331~331$\circ$ when the solid was exposed for a few hours to ultraviolet light. Wright described in his book as if Koelsch and Gumprecht had investigated both the structure of the photoproduct and the crystal structure 2,5-DSP in detail. However, in the paper, they have not described any study on chemically correct analysis and crystallography of the resulting photoproduct at all. In 1967, one of present authors (M. H.) independently made the same observation as Franke that brilliant yellow crystal of 2,5-DSP was converted into powdery white substance under the sunlight in the course of a preparative study of pyrazine-2,5-dicarboxylic acid from 2,5-DSP. He investigated this phenomenon and concluded for the first time that a linear highmolecular-weight polymer crystal ([$\eta$] > 3.0 in $CF_3COOH$ solution) with recurring cyclobutane units in the main chain, had been produced from 2,5-DSP crystal by the action of sunlight.on of sunlight.

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Crystal Structure of SAV0927 and Its Functional Implications

  • Jeong, Soyeon;Kim, Hyo Jung;Ha, Nam-Chul;Kwon, Ae-Ran
    • Journal of Microbiology and Biotechnology
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    • v.29 no.3
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    • pp.500-505
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    • 2019
  • Staphylococcus aureus is a round-shaped, gram-positive bacterium that can cause numerous infectious diseases ranging from mild infections such as skin infections and food poisoning to life-threatening infections such as sepsis, endocarditis and toxic shock syndrome. Various antibiotic-resistant strains of S. aureus have frequently emerged, threatening human lives significantly. Despite much research on the genetics of S. aureus, many of its genes remain unknown functionally and structurally. To counteract its toxins and to prevent the antibiotic resistance of S. aureus, our understanding of S. aureus should be increased at the proteomic scale. SAV0927 was first sequenced in an antibiotic resistant S. aureus strain. The gene is a conserved hypothetical protein, and its homologues appear to be restricted to Firmicutes. In this study, we determined the crystal structure of SAV0927 at $2.5{\AA}$ resolution. The protein was primarily dimeric both in solution and in the crystals. The asymmetric unit contained five dimers that are stacked linearly with ${\sim}80^{\circ}$ rotation by each dimer, and these interactions further continued in the crystal packing, resulting in a long linear polymer. The crystal structures, together with the network analysis, provide functional implications for the SAV0927-mediated protein network.

Novel Group 9 Metal Complexes Containing an S,S'-Chelating o-Carboranyl Ligand System: Synthesis, Crystal Structures, and Electrochemical Properties of Dinuclear [{(cod)M}2(S,S'-S2C2B10H10)] (cod = 1,5-cyclooctadiene;M = Rh OR Ir)] and Mononclear Cp*CoI[S,S'-S(S=PMe2)C2B10H10] Metal Complexs

  • Lee, Jong-Dae;Kim, Bo-Young;Lee, Chong-Mok;Lee, Young-Joo;Ko, Jae-Jung;Kang, Sang-Ook
    • Bulletin of the Korean Chemical Society
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    • v.25 no.7
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    • pp.1012-1019
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    • 2004
  • The synthesis of novel group 9 metal complexes containing the S,S'-chelate ligands, $Li_2S_2C_2B_{10}H_{10}$ (2a) and $LiS(S=PMe_2)C_2B_{10}H_{10$} (2b), is described. Two new dinuclear complexes of the type $[{(cod)M}_2(S,S'-S_2C_2B_{10}H_{10})]$ (cod = 1,5-cyclooctadiene; M = Rh (3a), or Ir (3b)) were synthesized by the reaction of chloridebridged dimers $[M({\mu}-Cl)(cod)]_2$ with one molar equivalent of the corresponding dilithium dithiolato ligand $Li_2S_2C_2B_{10}H_{10}$ (2a). X-ray crystal structure analysis of 3a revealed a dinuclear structure in which each (cod)Rh unit is attached to a distinct sulfur atom of a 1,2-dithio-o-carboranyl ligand (2a). Additionally, the electrochemical properties of 3a and 3b were investigated by cyclic voltammetry. In an analogous manner, reaction of the lithium dithiolato ligand $LiS(S=PMe_2)C_2B_{10}H_{10}$ (2b) with $Cp^{\ast}CoI_2(CO)$ produced a mononuclear dithiolato complex, $[Cp^{\ast}CoI{(S,S'-S(S=PMe_2)C_2B_{10}H_{10})}]$ (4), which was characterized by single-crystal X-ray analysis.

Optical Properties of Annealed ZnS Single Crystal (열처리한 ZnS 단결정의 광학적 특성)

  • Lee, Il Hun;Ahan, Chun
    • Journal of Korean Ophthalmic Optics Society
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    • v.4 no.2
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    • pp.97-103
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    • 1999
  • Zinc sulfide is a ll-VI compound with a large direct band gap in the near-UV region and a promising material for blur-light emitting diode and laser diode. It was identified that the structure had zinc blonde structure through the analysis of X-ray diffraction patterns. It's lattice constant was measured to be $a_o=5.411{\AA}$. The optical absorption, photocurrent, and photoluminescence spectra were measured to investigate the optical properties of zinc sulfide single crystal. The optical energy band gap measured at room temperature was 3.61eV The energy band gap of zinc sulfide annealed in zinc vapor at $800^{\circ}C$ was lower 0.1eV than that of as-grown zinc sulfide through the analysis of the photocurrent spectra. The photoluminescence spectra were measured ranging from 30K to 293K for the two cases of as-grown and annealed zinc sulfide. As-grown ZnS single crystal had peaks at 350nm, 392nm, 465nm, and annealed zinc sulfide had peaks at 349nm.

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Growth of ZnO Thin films Depending on the Substrates by RF Sputtering and Analysis of Their Microstructures (기판의 결정구조에 따른 RF 스퍼터링 ZnO 박막의 성장과 미세구조 분석)

  • Yoo In-Sung;So Soon-Jin;Park Choon-Bae
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.19 no.5
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    • pp.461-466
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    • 2006
  • To investigate the ZnO thin films which are interested in the next generation of short wavelength LEDs and Lasers, the ZnO thin films were deposited by RF sputtering system. At sputtering process of ZnO thin films, substrate temperature, work pressure respectively is $100^{\circ}C$ and 15 mTorr, and the purity of target is ZnO 5 N. The ZnO thin films were in-situ annealed at $600^{\circ}C$ in $O_2$ atmosphere. The thickness of ZnO thin films has implemented about $1.6{\mu}m$ at SEM analysis after in-situ annealing process. We have investigated the crystal structure of substrates, and so structural properties of ZnO thin films has estimate by using XRD, FWHM, FE-SEM and AFM. XRD and FE-SEM showed that ZnO thin films grown on substrates had a c-axis preferential orientation in the [0001] crystal direction. XPS spectra showed that ZnO thin film was showed a peak positions corresponding to the O1s and the Zn2p. As form above XPS, we showed that the atom ratio of Zn:O related 1:1.1504 on ZnO thin film, so we could obtained useful information for p-type ZnO thin film.

Fabrication of nanoporous ceramic membrane for water treatment (수처리용 나노스케일 다공성 세라믹 멤브레인 제조)

  • Han, Hyuk Su;Lee, Ho Jun;Ryu, Jeong Ho
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.29 no.2
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    • pp.77-81
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    • 2019
  • Recently, as the problem of environmental pollution emerges, various methods of eco-friendly water treatment method are being developed. Polymer membranes, which are currently leading the market, are inexpensive, but have many problems in terms of chemical resistance and durability. Thus, ceramic membrane has been attracted great attention as high-efficiency water treatment due to excellent durability and chemical resistant. In this study, ceramic membranes were developed via pore structure, size control, and surface treatment. The pore size of the membrane was controlled through the formation of $ZrO_2$ and $TiO_2$ coating films. Tape casting and sol-gel process were used to form a ceramic coating film with nanopores on the surface of the membrane. Microstructure analysis of ceramic membrane and pore size analysis of the coating film were conducted and the change of water treatment characteristics was observed.

The Crystal and Molecular Structure of Salicylaldehyde-4-piperidinothiosemicarbazone (Salicylaldehyde-4-piperidinothiosemicarbazone의 결정 및 분자구조)

  • Young-Ja Lee
    • Journal of the Korean Chemical Society
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    • v.20 no.1
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    • pp.3-14
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    • 1976
  • The crystal structure of alicylaldehyde-4-piperidinothiosemicarbazone, $C_{13}H_{l7}N_3OS$, has been determined by single crystal X-ray analysis. The crystals are orthorhombic, space group $P2_12_12_1$, with unit cell dimensions a = 6.52(2), b = 13.42(4), c = 14.92(4)${\AA}$. There are four formular units in a unit cell. The structure was solved by the heavy atom method and refined by isotropic block diagonal least-squares methods to a final R value of 0.10 for 1019 observed reflections. The oxygen atom of the hydroxyl group is involved in two hydrogen bonds, one as donor in the intramolecular O-H${\cdots}$N hydrogen bond and the other as acceptor in the intermolecular N-H${\cdots}$O hydrogen bond, the distances of the hydrogen bonds 2.56 and 3.00${\AA}$ respectively.The molecules are joined into infinite columns by the N-H${\cdots}o$O hydrogen bonds which form spirals along the two fold screw axis parallel to the a axis. The molecular columns are held together by van der Waals forces.

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Crystal Structures, Electrical Conductivities and Electrochemical Properties of LiCo1-XMgxO2(x=0.03) for Secondary Lithium Ion Batteries (리튬 2차 전지용 LiCo1-XMgxO2(x=0.03)의 결정구조, 전기전도도 및 전기화학적 특성)

  • Kim, Ho-Jin;Chung, Uoo-Chang;Jeong, Yeon-Uk;Lee, Joon-Hyung;Kim, Jeong-Joo
    • Journal of the Korean Ceramic Society
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    • v.42 no.9 s.280
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    • pp.602-606
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    • 2005
  • [ $LiCoO_{2}$ ] is the most common cathode electrode materials in Lithium-ion batteries. $LiCo_{0.97}Mg_{0.03}O_2$ was synthesized by the solid-state reaction method. We investigated crystal structures, electrical conductivities and electrochemical properties. The crystal structure of $LiCo_{0.97}Mg_{0.03}O_2$ was analyzed by X-ray powder diffraction and Rietveld refinement. The material showed a single phase of a layered structure with the space group R-3m. The lattice parameter(a, c) of $LiCo_{0.97}Mg_{0.03}O_2$ was larger than that of $LiCoO_2$. The electrical conductivity of sintered samples was measured by the Van der Pauw method. The electrical conductivities of $LiCoO_2$ and $LiCo_{0.97}Mg_{0.03}O_2$ were $2.11{\times}10^{-4}\;S/cm$ and $2.41{\times}10^{-1}\;S/cm$ at room temperature, respectively. On the basis of the Hall effect analysis, the increase in electrical conductivities of $LiCo_{0.97}Mg_{0.03}O_2$ is believed due to the increased carrier concentrations, while the carrier mobility was almost invariant. The electrochemical performance was investigated by coin cell test. $LiCo_{0.97}Mg_{0.03}O_2$ showed improved cycling performance as compared with $LiCoO_2$.