• Title/Summary/Keyword: Crystal structure analysis

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Crystal Structure and Quantitative Phase Analysis of Multiphase Sample using RIETAN and MEED (RIETAN 및 MEED법에 의한 다상시료의 결정구조 및 정량상 분석)

  • 김광복;천희곤;조동율;신종근;구경완
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.07a
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    • pp.303-307
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    • 2000
  • The crystal structure of ZnS fabricated by gas-liquid phase reaction was obtained by XRD and refined by RIETAN near R$_{wp}$ factor 10%. The increasement of HCP phase depended on extra H$_2$S gas and the lattice parameter and crystalline size changed by the relative ratio of multiphase. Using ZnS of the different multiphase ratio and crystalline size, sintered ZnS:Cu, Al green phosphor and the CL property resulted optimum luminescence in the range of 91~94% and 150~190$\AA$, respectably, FCC/HCP ratio and crystalline size. As changing of structure ratio, the reason of different luminescence property is now studying. As well as, after XRD pattern of TiO$_2$powder fitted by RIETAN and the structure factor using MEED method simulated about each atom of (002) plane. Additionally, we proposed RIETAN and MEED were the methods of the study of luminescence mechanism for many phosphor materials.s.

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Optimization of synthesis conditions and $CO_2$ capture capability of Cu-BTC Metal-Organic Framework (이산화탄소 흡착용 Cu-BTC MOF 합성 최적화)

  • Peng, Mei Mei;Hemalatha, Pushparaj;Ganesh, Mani;Jang, Hyun-Tae
    • Proceedings of the KAIS Fall Conference
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    • 2011.12a
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    • pp.200-203
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    • 2011
  • A copper-based metal organic framework (MOF) named Cu-BTC, also known as HKUST-1, was synthesized by using a solvothermal method at various synthesis temperature, time and pressure. The obtained samples were characterized with Powder X-ray diffraction (XRD) for phase structure, scanning electron microscopy (SEM) for crystal structure, and nitrogen adsorption-desorption for pore textural structure. The Cu-BTC sample was also studied for $CO_2$ adsorption. The analysis results displayed that the sample synthesized at the condition of temperature: $120^{\circ}C$, synthesis time: 12 hours, pressure: 1 bar exhibited a good crystal structure with uniform size of octahedral particles. The BET data revealed a high surface area of 1741.7 $m^2g^{-1}$ and a pore volume of 0.7137 $cm^3g^{-1}$and exhibiteda maximum $CO_2$ adsorption capacity of 170 mg/g of the sorbent at $25^{\circ}C$.

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Numerical analysis of CZ growth process for sapphire crystal of 300 mm length: Part I. Influence of hot zone structure modification on crystal temperature (300 mm 길이의 사파이어 단결정 대한 CZ성장공정의 수치해석: Part I. 핫존 구조 변경이 결정 온도에 미치는 영향)

  • Shin, Ho Yong;Hong, Su Min;Kim, Jong Ho;Jeong, Dae Yong;Im, Jong In
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.23 no.6
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    • pp.265-271
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    • 2013
  • Czochralski (CZ) growth process is one of the most important techniques for growing high quality sapphire single crystal for LED application. In this study, the inductively-heated CZ growth processes for the sapphire crystal of 300 mm length have been analyzed numerically using finite element method. The hot zone structures were modified with the crucible geometry change and the additional insulation layer installed above the crucible. The results show that the solid-liquid interface height decreased from about 80 mm at initial stage to 40 mm after mid-stage due to achieve the growth speed balance. Also the optimal input power of the modified system was similar with the original one due to the compensation effects of the crucible geometry and additional insulation. The crystal temperature grown by the modified CZ grower was increased about 10 K than the original one. Therefore the sapphire crystal of 300 mm height was grown successfully.

Synthesis, Structures and Properties of Two Metal-organic Frameworks Derived from 3-Nitro-1,2-benzenedicarboxylic Acid

  • Xu, Wen-Jia;Zhang, Ling-Yu;Tang, Jin-Niu;Wang, Dai-Yin;Pan, Gang-Hong;Feng, Yu
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2375-2380
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    • 2013
  • Two metal-organic frameworks based on the connectivity co-effect between rigid benzenedicarboxylic acid and bridging ligand have been synthesized $[Zn_2(3-NO_2-bdc)_2(4,4'-bpy)_2H_2O]_n$ (1), $[Co(3-NO_2-bdc)(4,4'-bpy)H_2O]_n$ (2) (where $3-NO_2-bdcH_2$ = 3-nitro-1,2-benzenedicarboxylic acid, 4,4'-bpy = 4,4'-bipyridine). The two novel complexes were characterized by IR spectrum, elemental analysis, fluorescent properties, thermogravimetric analysis, single-crystal X-ray diffraction and powder X-ray diffraction (PXRD). X-ray structure analysis reveals that 1 and 2 are two-dimensional (2D) network structures. Complex 1 and complex 2 belong to triclinic crystal with P-1 space group. The luminescence measurements reveal that two complexes exhibit good fluorescent emissions in the solid state at room temperature. Also, thermal decomposition process and powder X-ray diffraction of complexes were investigated.

Crystal structure analysis of orthohombic $Sr_{0.6}Ca_{0.4}CuO_2$ compound (사방정계 $Sr_{0.6}Ca_{0.4}CuO_2$ 화합물의 결정구조해석)

  • Park, H.M.;Goetz, D.;Hahn, Th.
    • Korean Journal of Crystallography
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    • v.7 no.1
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    • pp.20-29
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    • 1996
  • Sr0.6Ca0.4CuO2 single crystal has been synthesized by flux method and characterized by the single crystal X-ray diffraction. The compound has the orthorhombic system and the space group is Cmcm(63), lattice parameters are a=3.4645Å, b=16.1417Å, c=3.8727Å. In the (Sr1-xCax)CuO2 compound the limit of Ca from substitution for Sr was determined by the change of bond length. For this, X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray fluorescence (EDAX) and electron probe micro-analysis (EPMA) were used. From the change of Cu-O bond length as the Ca substitution, we concluded the limit of Ca incorporation Xca≒0.73.

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Lanthanide Complexes of Some High Energetic Compounds (II), Crystal Structures and Thermal Properties of Picrate Complexes

  • Yun, Sock-Sung;Kang, Sung-Kwon;Suh, Hong-Ryol;Suh, Hyung-Sock;Lee, Eun-Kwang;Kim, Jae-Kyung;Kim, Chong-Hyeak
    • Bulletin of the Korean Chemical Society
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    • v.26 no.8
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    • pp.1197-1202
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    • 2005
  • The Ln(III) complexes with picrate ligand, $[Sm(Pic)_2(H_2O)_6]Pic{\cdot}6H_2O$, 1, and $[Ho(Pic)(H_2O)_7](Pic)_2{\cdot}3H_2O$, 2, have been synthesized and their crystal structures are analyzed by X-ray diffraction methods. Complex 1, crystallizes in the monoclinic $P2_1/n$ space group and complex 2 in the triclinic P-1 space group. In complex 1, two picrate ligands coordinate to the Sm(III) ion, one of them in the bidentate fashion. There are one picrate anion and six water molecules in the crystal lattice. The nine-coordinated Sm(III) ion forms a slightly distorted tricapped trigonal prism. In complex 2, only one picrate ligand coordinates to the metal ion as a monodentate. There are two picrate anions and three water molecules in the crystal lattice. The eight-coordinated Ho(III) ion forms a distorted bicapped trigonal prism. Based on the results of the TG-DTG and DSC thermal analysis, it was analyzed that the lanthanide picrate complexes 1 and 2 are thermally decomposed in three distinctive stages, the dehydration, the picrate decomposition, and the formation of the metal oxide.

A Study on the Liquid Crystal Formed in PLO Gel Containing Ceramide NP (Ceramide NP 를 함유한 PLO Gel 에서 형성되는 액정에 관한 연구)

  • Heo, Min Geun;Yoon, Kyung-Sup
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.47 no.1
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    • pp.85-92
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    • 2021
  • The stratum corneum is formed from keratinocytes and intercellular lipids, with ceramide as the main component of intercellular lipids. Ceramides are one of the important components of the intercellular lipids to form a lamellar structure, but they are insoluble and therefore are not suitable for direct application to the skin. Thus, it was intended to apply ceramide to the formulation of pluronic lecithin organogel (PLO gel), which received constant attention among drug delivery systems. A suitable oil for formulation was selected and a PLO gel containing ceramide was manufactured. Liquid crystal formation and variation were observed using polarized microscopes, and viscoelastic analysis was performed to find out the viscoelastic behavior of the PLO gel. Small-angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS) analysis were performed to confirm the structures in the formulation. Results showed that the size and stability of the liquid crystal differed depending on the content ratio of ceramide and lecithin in the PLO gel containing ceramide. Furthermore, viscoelastic analysis showed the stability of the formulation, and SAXS/WAXS analysis confirmed that the PLO gel without ceramide had hexagonal structure of the quadrilateral system array, and the PLO gel with ceramide had the lamellar structure of the quadrilateral system array.

Pore Distribution of Porous Silicon layer by Anodization Process

  • Lee, Ki-Yong;Chung, Won-Yong;Kim, Do-Hyun
    • Proceedings of the Korea Association of Crystal Growth Conference
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    • 1996.06a
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    • pp.494-496
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    • 1996
  • The purpose of this study is to investigate the effect of process conditions on pore distribution in porous silicon layer prepared by electrochemical reaction. Porous silicon layers formed on p-type silicon wafer show the network structure of fine porse whose diameters are less than 100${\AA}$. In n-type porous silicon, selective growth was found on the pore surface by wet etching process after PR patterning. And numerical method showed high current density on the pore tip. With this result we confirmed that pore formation has two steps. First step is the initial attack on the surface and second step is the directional growth on the pore tip.

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Synthesis and Structural Analysis of a New Layered Cobalt(II) Compound with p-Toluenesulfonic Acid : $[Co(H_2O)_6](CH_3C_6H_4SO_3)_2$ (p-Toluenesulfonate를 가진 새로운 코발트(II) 층상 화합물의 합성과 구조 분석)

  • Kim, Chong-Hyeak;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.13 no.4
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    • pp.534-538
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    • 2000
  • The title compound, $[Co(H_2O)_6](CH_3C_6H_4SO_3)_2$, has been prepared and characterized by X-ray crystallography. The crystal structure of the compound demonstrates a layered material constituted by hexaaquacobalt (II) cations and p-toluenesulfonate anions. Geometrical environment of the cobalt atom is octahedrally coordinated by water molecules. The p-toluenesulfonate anions are arranged with the sulfonate groups turned toward opposite side of the layer, alternately. The layered structure is stabilized by the hydrogen bondings between the ligated water molecules and the anionic sulfonate oxygen atoms.

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Optical Properties of $In_2S_3$ and $In_2S_3:Co^{2+}$ single crystal ($In_2S_3$$In_2S_3:Co^{2+}$ 단결정의 광학적 특성에 관한 연구)

  • Oh, Seok-Kyun;Park, Kwang-Ho;Hyun, Seung-Cheol;Jeong, Jin
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.11a
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    • pp.156-156
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    • 2008
  • Single crystal of $In_2S_3$ and $In_2S_3:Co^{2+}$ were grown successfully with a good quality by the CTR(Chemical Transport Reaction)method. XRD analysis showed that the grown In2S3 and $In_2S_3:Co^{2+}$ single crystals were cubic structure. The optical absorption spectra of $In_2S_3:Co^{2+}$ single crystal showed impurity absorption peaks due to cobalt impurity. These impurity absorption pesks were assigned to the ligand transition between the split energy levels of $Co^{2+}$ ions with $T_d$ symmetry of these semiconductor host lattice.

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