• Title/Summary/Keyword: Crystal structure analysis

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Synthesis and Oxygen Reduction Reaction Characteristics of Multi-Walled Carbon Nanotubes Supported PtxM(1-x) (M = Co, Cu, Ni) Alloy Catalysts for Polymer Electrolyte Membrane Fuel Cell (다중벽 탄소 나노 튜브에 담지한 PtxM(1-x)(M = Co, Cu, Ni) 합금촉매의 제조 및 고분자 전해질 연료전지에서 산소환원 특성)

  • Jung, Dong-Won;Park, Soon;Ahn, Chi-Yeong;Choi, Seong-Ho;Kim, Jun-Bom
    • Korean Journal of Materials Research
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    • v.19 no.12
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    • pp.667-673
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    • 2009
  • The electrocatalytic characteristics of oxygen reduction reaction of the $PtxM_{(1-x)}$ (M = Co, Cu, Ni) supported on multi-walled carbon nanotubes (MWNTs) have been evaluated in a Polymer Electrolyte Membrane Fuel Cell (PEMFC). The $Pt_xM_{(1-x)}$/MWNTs catalysts with a Pt : M atomic ratio of about 3 : 1 were synthesized and applied to the cathode of PEMFC. The crystalline structure and morphology images of the $Pt_xM_{(1-x)}$ particles were characterized by X-ray diffraction and transmission electron microscopy, respectively. The results showed that the crystalline structure of the Pt alloy particles in Pt/MWNTs and $Pt_xM_{(1-x)}$/MWNTs catalysts are seen as FCC, and synthesized $Pt_xM_{(1-x)}$ crystals have lattice parameters smaller than the pure Pt crystal. According to the electrochemical surface area (ESA) calculated with cyclic voltammetry analysis, $Pt_{0.77}Co_{0.23}$/MWNTs catalyst has higher ESA than the other catalysts. The evaluation of a unit cell test using Pt/MWNTs or $Pt_xM_{(1-x)}$/MWNTs as the cathode catalysts demonstrated higher cell performance than did a commercial Pt/C catalyst. Among the MWNTs-supported Pt and $Pt_xM_{(1-x)}$ (M = Co, Cu, Ni) catalysts, the $Pt_{0.77}Co_{0.23}$/MWNTs shows the highest performance with the cathode catalyst of PEMFC because they had the largest ESA.

Synthesis of CdS with Graphene by CBD(Chemical Bath Deposition) Method and Its Photocatalytic Activity

  • Pawar, R.C.;Lee, Jin-Yong;Kim, Eun-Jeong;Kim, Hyungsub;Lee, Caroline Sunyong
    • Korean Journal of Materials Research
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    • v.22 no.10
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    • pp.504-507
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    • 2012
  • Synthesis of RGO (reduced graphene oxide)-CdS composite material was performed through CBD (chemical bath deposition) method in which graphene oxide served as the support and Cadmium Sulfate Hydrate as the starting material. Graphene-based semiconductor photocatalysts have attracted extensive attention due to their usefulness for environmental and energy applications. The band gap (2.4 eV) of CdS corresponds well with the spectrum of sunlight because the crystalline phase, size, morphology, specic surface area and defects, etc., of CdS can affect its photocatalytic activity. The specific surface structure (morphology) of the photocatalyst can be effective for the suppression of recombination between photogenerated electrons and holes. Graphene (GN) has unique properties such as a high value of Young's modulus, large theoretical specific surface area, excellent thermal conductivity, high mobility of charge carriers, and good optical transmittance. These excellent properties make GN an ideal building block in nanocomposites. It can act as an excellent electron-acceptor/transport material. Therefore, the morphology, structural characterization and crystal structure were observed using various analytical tools, such as X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. From this analysis, it is shown that CdS particles were well dispersed uniformly in the RGO sheet. Furthermore, the photocatalytic property of the resulting RGO-CdS composite is also discussed in relation to environmental applications such as the photocatalytic degradation of pollutants. It was found that the prepared RGO-CdS nanocomposites exhibited enhanced photocatalytic activity as compared with that of CdS nanoparticles. Therefore, better efficiency of photodegradation was found for water purification applications using RGO-CdS composite.

Synthesis and Characteristic of ${\epsilon}$-type Copper Phthalocyanine Used as Color Filter in LCD Panel (입실론 프탈로시아닌의 합성 및 특성에 대한 연구)

  • Kim, Jae Hwan;Kim, Song Hyuk;Kim, Seong Jin;Hong, Seong-Soo;Lee, Gun-Dae;Park, Seong Soo
    • Applied Chemistry for Engineering
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    • v.23 no.2
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    • pp.138-142
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    • 2012
  • The ${\epsilon}$ type copper phthalocyanine (${\epsilon}$-CuPc), called as a pigment blue 15 : 6, is a significant material to produce a blue pixel in LCD (Liquid Crystal Display) panel. In this study, ${\epsilon}$-CuPc sample was synthesized at various reaction conditions by applying the seed method using ${\epsilon}$-CuPc nanoparticles as a seed. Adequate synthetic conditions of the samples were selected by analyzing and comparing crystalline structure, crystalline purity, microstructure, and synthetic yield of the samples with ${\alpha}$ and ${\beta}$ crystalline CuPc samples. The chemical and crystalline structure of the samples were tested using FT-IR spectrometer and X-ray diffractometry, respectively. The shape of the particle was examined using field emission scanning electiron microscope while the thermal property was tested utilizing thermogravimetric analysis.

Solution Dynamics and Crystal Structure of $CpMoOs_{3}(CO)_{10}(\mu-H)_{2}[\mu_{3}-\eta^{2}-C(O)CH_{2}Tol]$

  • Joon T. Park;Jeong-Ju Cho;Kang-Moon Chun;Sock-Sung Yun;Kim SangSoo
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.137-143
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    • 1993
  • The tetranuclear heterometallic complex CpMo$Os_3(CO)_{10}({\mu]-H)2[{\mu}3-{\eta}^2-C(O)CH_2Tol]\;(1,\;Cp={\eta}^5-C_5H_5,\;Tol=p-C_6H_4Me)$ has been examined by variable-temperature $^{13}$C-NMR spectroscopy and by a full three-dimensional X-ray structual analysis. Complex 1 crystallizes in the orthorhombic space group Pna2$_1$ with a = 12.960(1) ${\AA}$, b = 11.255(l) ${\AA}$, c = 38.569(10)${\AA}$, V = 5626(2) ${\AA}^3$ and ${\rho}$(calcd) = 2.71 gcm$^{-3}$ for Z = 8 and molecular weight 1146.9. Diffraction data were collectedon a CAD4 diffractometer, and the structure was refined to $R_F$ = 9.7% and $R_{W^F}$ = 9.9% for 2530 data (MoK${\alpha}$ radiation). There are two essentially equivalent molecules in the crystallographic asymmetric unit. The tetranuclear molecule contains a triangulated rhomboidal arrangement of metal atoms with Os(2) and Mo at the two bridgehead positions. The metal framework is planar; the dihedral angle between Os(l)-Os(2)-Mo and Os(3)-Os(2)-Mo planes is 180$^{\circ}$. A triply bridging (${\mu}_3,\;{\eta}^2$) acyl ligand lies above the Os(l)-Os(2)-Mo plane; the oxygen atom spans the two bridgehead positions, while the carbon atom spans one bridgehead position and an acute apical position. The molecular architecture is completed by an ${\eta}^5$-cyclopentadienyl ligand and a semi-triply bridging carbonyl ligand on the molybdenum atom, and nine terminal carbonyl ligands-four on Os(3), three on Os(l), and two on Os(2). The two hydride ligands are inferred to occupy the Os(l)-Os(2) and Mo-Os(3) edges from structural and NMR data.

Optical Properties of Y3Al5O12;Ce3+,Pr3+ Transparent Ceramic Phosphor for High Power White Lighting (고출력 백색 광원용 Y3Al5O12;Ce3+,Pr3+ 투명 세라믹 형광체의 광학특성)

  • Kang, Taewook;Lim, Seokgyu;Kim, Jongsu;Jeong, Yongseok
    • Korean Journal of Materials Research
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    • v.29 no.2
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    • pp.116-120
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    • 2019
  • We prepared $Y_3Al_5O_{12};Ce^{3+},Pr3^{+}$ transparent ceramic phosphor using a solid state reaction method. By XRD pattern analysis and SEM measurement, our phosphors reveal an Ia-3d(230) space group of cubic structure, and the transparent ceramic phosphor has a polycrystal state with some internal cracks and pores. In the Raman scattering measurement with an increasing temperature, lattice vibrations of the transparent ceramic phosphor decrease due to its more perfect crystal structure and symmetry. Thus, low phonon generation is possible at high temperature. Optical properties of the transparent ceramic phosphor have broader excitation spectra due to a large internal reflection. There is a wide emission band from the green to yellow region, and the red color emission between 610 nm and 640 nm is also observed. The red-yellow phosphor optical characteristics enable a high Color Rendering Index (CRI) in combination with blue emitting LED or LD. Due to its good thermal properties of low phonon generation at high temperature and a wide emission range for high CRI characteristics, the transparent ceramic phosphor is shown to be a good candidate for high power solid state white lighting.

Effect of ZnO Nanoparticle Presence on SCC Mitigation in Alloy 600 in a Simulated Pressurized Water Reactors Environment

  • Sung-Min Kim;Woon Young Lee;Sekown Oh;Sang-Yul Lee
    • Journal of Surface Science and Engineering
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    • v.56 no.6
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    • pp.401-411
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    • 2023
  • This study investigates the synthesis, characterization, and application of zinc oxide (ZnO) nanoparticles for corrosion resistance and stress corrosion cracking (SCC) mitigation in high-temperature and high-pressure environments. The ZnO nanoparticles are synthesized using plasma discharge in water, resulting in rod-shaped particles with a hexagonal crystal structure. The ZnO nanoparticles are applied to Alloy 600 tubes in simulated nuclear power plant atmospheres to evaluate their effectiveness. X-ray diffraction and X-ray photoelectron spectroscopy analysis reveals the formation of thermodynamically stable ZnCr2O4and ZnFe2O4 spinel phases with a depth of approximately 35 nm on the surface after 240 hours of treatment. Stress corrosion cracking (SCC) mitigation experiments reveal that ZnO treatment enhances thermal and mechanical stability. The ZnO-treated specimens exhibit increased maximum temperature tolerance up to 310 ℃ and higher-pressure resistance up to 60 bar compared to non-treated ZnO samples. Measurements of crack length indicate reduced crack propagation in ZnO-treated specimens. The formation of thermodynamically stable Zn spinel structures on the surface of Alloy 600 and the subsequent improvements in surface properties contribute to the enhanced durability and performance of the material in challenging high-temperature and high-pressure environments. These findings have significant implications for the development of corrosion-resistant materials and the mitigation of stress corrosion cracking in various industries.

Synthesis and Analysis of the Impact of Partial Mercury Replacement with Lead on the Structural and Electrical Properties of the Hg1-xPbxBa2Ca2Cu3O8+δ Superconductor

  • Kareem Ali Jasim;Chaiar Abdeen Zaynel Saleh;Alyaa Hamid Ali Jassim
    • Korean Journal of Materials Research
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    • v.34 no.1
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    • pp.21-26
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    • 2024
  • In this investigation, samples of the chemical (Hg1-xPbxBa2Ca1.8Mg0.2Cu3O8+δ) were prepared utilizing a solid-state reaction technique with a range of lead concentrations (x = 0.0, 0.05, 0.10, and 0.20). Specimens were pressed at 8 tons per square centimeter and then prepared at 1,138 K in the furnace. The crystalline structure and surface topography of all samples were examined using X-ray diffraction (XRD) and atomic force microscopy (AFM). X-ray diffraction results showed that all of the prepared samples had a tetragonal crystal structure. Also, the results showed that when lead was partially replaced with mercury, an increase in the lead value impacted the phase ratio, and lattice parameter values. The AFM results likewise showed excellent crystalline consistency and remarkable homogeneity during processing. The electrical resistivity was calculated as a function of temperature, and the results showed that all samples had a contagious behavior, as the resistivity decreased with decreasing temperature. The critical temperature was calculated and found to change, from 102, 96, 107, and 119 K, when increasing the lead values in the samples from 0.0 to 0.05, 0.10, and 0.20, respectively.

Solution Structure of 21-Residue Peptide (Asp 84-Leu 104), Functional Site derived from $p16^{INK4A}$ ($p16^{INK4A}$ 단백질 활성부위(Asp 84-Leu 104)의 용액상 구조)

  • Lee, Ho-Jin;Ahn, In-Ae;Ro, Seonggu;Choi, Young-Sang;Yoon, Chang No;Lee, Kang-Bong
    • Analytical Science and Technology
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    • v.13 no.4
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    • pp.494-503
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    • 2000
  • A 21-residue peptide corresponding to amino acids 84-104 of $p16^{INK4A}$, the tumor suppressor, has been synthesized and its structure was studied by Circular Dichroism, $^1H$ NMR spectroscopy and molecular modeling. A p16-derived peptide (84-104 amino acids) forming stable complex with CDK4 and CDK6 inhibits the ability of CDK4/6 to phosphorylate pRb in vitro, and blocks cell-cycle progression through G1/S phase as shown in the function of the full-length p16. Its NMR spectral data including NOEs, $^3J_{NH-H{\alpha}}$ coupling constants, $C_{\alpha}H$ chemical shift, the average amplitude of amide chemical shift oscillation and temperature coefficients indicate that the secondary structure of a p16-derived peptide is similar to that of the same region of full-length p16, which consists of helix-turn-helix structure. The 3-D distance geometry structure based on NOE-hased distance and torsion angle restraints is characterized by ${\gamma}$-turn conformation between residues $Gly^{89}-Leu^{91}$(${\varphi}_{i+1}=-79.8^{\circ}$, ${\varphi}_{i+1}=60.2^{\circ}$) as evidenced in a single crystal structure for the corresponding region of p18 or p19, but is undefined at both the N and C termini. This compact and rigid ${\gamma}$-turn region is considered to stabilize the structure of p16-derived peptide and serve as a site recognizing cyelin dependent kinase, and this well-defined ${\gamma}$-turn structure could be utilized for the design of anti-cancer drug candidates.

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Molecular Characterization of Epoxide Hydrolase from Aspergillus niger LK using Phylogenetic Analysis (진화적 유연관계 분석을 통한 Aspergillus niger LK의 Epoxide Hydrolase의 특성분석)

  • 김희숙;이은열;이수정;이지원
    • KSBB Journal
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    • v.19 no.1
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    • pp.42-49
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    • 2004
  • A gene coding for epoxide hydrolase (EH) of Aspergillus niger LK, a fungus possessing the enantioselective hydrolysis activity for racemic epoxides, was characterized by phylogenetic analysis. The deduced protein of A. niger LK epoxide hydrolase shares significant sequence similarity with several bacterial EHs and mammalian microsomal EHs (mEH) and belongs to the a/${\beta}$ hydrolase fold family. EH from A. niger LK had 90.6% identity with 3D crystal structure of lqo7 in Protein Data Bank. Sequence comparison with other source EHs suggested that Asp$\^$l92/, Asp$\^$374/ and His$\^$374/ constituted the catalytic triad. Based on the multiple sequence comparison of the functional and structural domain sequence, the phylogenetic tree between relevant epoxide hydrolases from various species were reconstructed by using Neighbor-Joining method. Genetic distances were so far as 1.841-2.682 but characteristic oxyanion hole and catalytic triad were highly conserved, which means they have diverged from a common ancestor.

Analysis of the grain boundary precipitates in stainless steel by potentiostatic etching dissolution method (정전위 전해에칭법에 의한 스테인레스 강의 입계 석출물 분석)

  • Park, Shin Hwa;An, Byug Ryang;Hong, Ki Jung;Lee, Do Hyung
    • Analytical Science and Technology
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    • v.6 no.2
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    • pp.157-165
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    • 1993
  • The potentiostatic etching dissolution method, which had been used for the quantification of precipitates in steel, was applied to investigate the origin of cracks occurred in 304 stainless steel during processing. The morphology of crack propagation was observed by SEM. EDS and EPMA were used for the analysis of chemical composition of large precipitates on the grain boundary. The crystal structure of these large precipitates was determined by X-ray diffraction and electron diffraction. In both a stainless steel plate and a wire, the crack propagated along the grain boundary. Large precipitates on the grain boundary were identified to be $M_2C$ and $M_{23}C_6$. Potentiostatic etching dissolution method was found to be appropriate to the sample preparation for the analysis of precipitates in stainless steel.

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