• Title/Summary/Keyword: X-ray crystal diffraction

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A Study of the Crystal Structure of the Fine S-Phase Precipitate in Al-Cu-Mg Alloy by Electron Diffraction Experiments (전자회절실험에 의한 알루미늄 합금 (Al-Cu-Mg)의 미세 S-상 석출입자에 대한 결정구조 연구)

  • Kim, Hwang-Su
    • Applied Microscopy
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    • v.35 no.4
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    • pp.1-9
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    • 2005
  • In this paper it is reported that a comprehensive study of the crystal structure of the fine size S-phase ($Al_2CuMg$) precipitate in Al-Cu-Mg alloy by electron diffraction experiments. The experiments involve taking the selected area diffraction pattern for a S-phase particle, simulations of the pattern based on the kinematical diffraction theory and quantitative data collection from the zone axis diffraction patterns for the comparison with calculated diffraction intensity using both the kinematical and the dynamical diffraction theory. As a result, a good fitting model of the S-phase structure turns out to be the model reported early by X-ray methods (Perlitz & Westgren, 1943), not the new model determined by HRTEM methods (Radmilovic et al., 1999).

A study on the growth and characteristics of $AgGaS_2$ single crystal thin film by hot wall epitaxy (HWE 방법에 의한 $AgGaS_2$단결정 박막성장과 특성에 관한 연구)

  • 홍광준;정준우
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.8 no.2
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    • pp.211-220
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    • 1998
  • The stochiometric composition of $AgGaS_2$polycrystal source materials for the single crystal thin films were prepared from horizontal furnace. From the extrapolation method of X-ray diffraction patterns, it was found that the polycrystal $AgGaS_2$has tetragonal structure of which lattice constant $a_0\;and \;c_0$ were 5.756 $\AA$ and 10.305 $\AA$, respectively. $AgGaS_2$single crystal thin film was deposited on throughly etched GaAs(100) substrate from mixed crystal $AgGaS_2$by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $590^{\circ}C$ and $440^{\circ}C$ respectively, and the growth rate of the single crystal thin films was about 0.5 $mu \textrm{m}$/h. The crystallinity of the grown single crystal thin films was investigated by the DCRC (double crystal X-ray diffraction rocking curve). The optical energy gaps were found to be 2.61 eV for $AgGaS_2$single crystal thin films at room temperature. The temperature dependence of the photocurrent peak energy is well explained by the Varshni equation, then the constants in the Varshni equation are given by${\Alpha};=;8.695{\times}10^{-4};eV/K,and;{\beta};=;332;K$. from the photocurrent spectra by illumination of polarized light of the $AgGaS_2$single crystal thin film, we have found that crystal field splitting $\Delta$Cr was 0.28 eV at 20 K. From the PL spectra at 20 K, the peaks corresponding to free and bound excitons and a broad emission band due to D-A pairs are identified. The binding energy of the free excitons are determined to be 0.2676 eV and 0.2430 eV and the dissociation energy of the bound excitons to be 0.4695 eV.

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Fabrication of Single Crystal Poly(3,4-ethylenedioxythiophene) Nanowire Arrays

  • Cho, Bo-Ram;Sung, Myung-M.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.537-537
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    • 2012
  • We have studied a fabrication of vapor phase polymerized Poly(3,4-ethylenedioxythiophene) (PEDOT) nanowire arrays for the first time. The vapor-phase polymerization (VPP) technique is a bottom-up processing method that utilizes the organic arrangement of macromolecules to easily produce ordered aggregates, including on the nanoscale, or prepare thin films of self-assembled molecules, micropatterns, or modified microstructures of pure conducting polymers. Also, liquid-bridge-mediated nanotransfer molding (LB-nTM), which was reported as a new direct patterning method recently, is for the arrayed formation of two- or three-dimensional structures with feature sizes as small as tens of nanometers over large areas up to 4 inches across and is based on the direct transfer of various materials from a mould to a substrate through a liquid bridge between them. The PEDOT nanowires grown by VPP method and transferred on a substrate to use LB-nTM method have been fabricated to single crystal PEDOT nanowires investigated Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Selected Area Electron Diffraction (SAED), X-Ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), and electrical properties.

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Synthesis, Crystal Structure and Fungicidal Activities of New Type Oxazolidinone-Based Strobilurin Analogues

  • Li, Yuhao;Liu, Rui;Yan, Zhangwei;Zhang, Xiangning;Zhu, Hongjun
    • Bulletin of the Korean Chemical Society
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    • v.31 no.11
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    • pp.3341-3347
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    • 2010
  • A series of oxazolidinone-based strobilurin analogues were efficiently synthesized by the reaction of 3-(2-bromomethylphenyl) oxazolidin-2-one with 1-substituted phenyl-2H-pyrazolin-3-one. Their structures were confirmed and characterized by $^1H$-NMR, $^{13}C$-NMR, elemental analysis, and mass spectroscopy. In addition, the crystal structure of the target compound 3-(2-((1-phenyl-2H-pyrazol-3-yloxy)methyl)phenyl) oxazolidin-2-one was determined by single crystal X-ray diffraction. The bioassay results of these compounds indicated that some of the oxazolidin-2-one derivatives containing N-substituted phenyl 2H-pyrazol ring exhibited potential in vivo fungicidal activities against M. grisea at the dosage of $1\;g\;L^{-1}$.

Cycloplatinated Complexes of Thiosemicarbazones. Synthesis and Crystal Structure of [$Ph_2PC_6H_4CHNNC(S)NHCH_3PtCl$]

  • 유동원;강상욱;고재정;최문근
    • Bulletin of the Korean Chemical Society
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    • v.18 no.3
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    • pp.305-310
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    • 1997
  • The synthesis and characterization of the platinum heterocyclic carboxaldehyde thiosemicarbazone complexes [NC5H4CRNNC(S)NHR'PtCl] (R=H, R'=CH3(1); R=CH3, R'=CH3(2); R=CH3, R=H(3)) and diphenylphosphinophenyl carboxaldehyde thiosemicarbazone complexes [Ph2PC6H4CHNNC(S)NHRPtCl] (R=CH3(5); R=iC3H7(6); R=Ph(7)) are described. Compounds 1-3 were prepared by reaction of Pt(SEt2)2Cl2 with 2-acetylpyridine-4-alkylthiosemicarbazone in the presence of NEt3. Compounds 5-7 were prepared using Pt(SEt2)2Cl2 in toluene with diphenylphosphinophenyl carboxaldehyde alkylthiosemicarbazone. The compounds have been characterized by microanalysis, NMR (1H, 13C, 31P) spectroscopy, and single-crystal X-ray diffraction. X-ray single crystal diffraction analysis reveals that compound 5 is a mononuclear platinum compound with P,N,S-coordination mode.

Synthesis and Characterization of New Group 13 Complexes of 2-Acetylpyridine-S-methyldithiocarbazate. Single-Crystal Structure of Me₂Ga[$NC_5H_4C$(CH₃)NNC(S)SMe] and Me₂In[$NC_5H_5C$(CH₃)NNC(S)SMe]

  • 백철기;강상욱;이채호;이영행;고재정
    • Bulletin of the Korean Chemical Society
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    • v.18 no.3
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    • pp.311-316
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    • 1997
  • The synthesis and characterization of the mononuclear group 13 heterocyclic carboxaldehyde methyldithiocarbazate complexes Me2M[NC5H4CRNNC(S)SCH3] (M=Al, R=H(1); M=Ga, R=H(2); M=Al, R=CH3(3); M-Ga, R=CH3(4); M=In, R=CH3(5)) are described. Compounds 1-5 were prepared by the reaction of MMe3 (M=Al, Ga, In) with 2-formy or 2-acetylpyridine-S-methyldithiocarbazate in toluene. These compounds 1-5 have been characterized by microanalysis, NMR (1H, 13C) spectroscopy, mass spectra, and single-crystal X-ray diffraction. X-ray single-crystal diffraction analyses reveal that 4-5 are mononuclear metal compounds with coordination number of 5 and N,N,S coordination mode.

X-Ray Diffraction Study on the Cellulose Structures in Wood Cell Wall (X선 회절법을 이용한 목재세포벽중의 셀룰로오스의 구조해석)

  • 김남훈;이선호
    • Journal of Korea Foresty Energy
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    • v.18 no.2
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    • pp.62-69
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    • 1999
  • Lignin in wood cell walls influeced the transformation of the cellulose crystal structure during mercerization. Samples of sound and decayed woods by white rot fungus of Quercus mongolica were treated with 20% aquous NaOH solution, followed by washing and drying, and delignified. The effect of delignification on cellulose structure was investigated by a series of an X-ray diffraction analysis and ultraviolet(UV) microscopy. Delignification of alkali-treated woods did not influence their cellulose crystal structures. It may be concluded that lignin prevents the swelling of wood cellulose during mercerization and restrain the intermingling of cellulose chains.

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Synchrotron X-Ray Diffraction Studies on Crystalline Domains in Urea-Formaldehyde Resins at Low Molar Ratio

  • WIBOWO, Eko Setio;PARK, Byung-Dae;CAUSIN, Valerio;HAHN, Dongyup
    • Journal of the Korean Wood Science and Technology
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    • v.50 no.5
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    • pp.353-364
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    • 2022
  • The crystalline domain of thermosetting urea-formaldehyde (UF) resins at low formaldehyde-to-urea (F/U) molar ratios (≤ 1.0) is known to be responsible for their poor performance as wood adhesives. Crystallization has been observed in 1.0 F/U UF resins during the addition reaction stage and at the end of the synthesis process (neat UF resins). The crystallinity and X-ray diffraction (XRD) spectra of the uncured neat UF resins, on the other hand, differed significantly from those of the cured neat UF resins, raising the possibility that their crystal structures were also different. This study demonstrates for the first time that the crystalline domains in 1.0 F/U UF resins generated from uncured and cured samples are identical. Despite having a lower crystallinity value, the synchrotron XRD patterns of purified neat UF resins were equivalent to the XRD patterns of cured neat UF resins. Transmission electron microscope images of the cured UF resins showed that the crystals were lamellar structures. This finding suggests that the crystal at low molar ratio UF resins are isotropic polycrystals with random orientation.