• 제목/요약/키워드: crystal analysis

검색결과 2,018건 처리시간 0.03초

Adsorption properties and metal growth aspects on the surface of activated carbon monolith electrochemically deposited with Ag

  • Oh, Won-Chun;Lim, Chang-Sung
    • 한국결정성장학회지
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    • 제14권2호
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    • pp.37-46
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    • 2004
  • The electrochemical adsorption of the Ag ions from aqueous solution on pelletized activated carbon monolith was investigated over wide range of operation time. The adsorption capacities of pelletized activated carbon monolith are associated with their internal porosity and are related properties such as surface area, pore size distribution. The chemical industry generates wastewater that contains toxic matters like heavy metals in small concentrations so that their economic recovery is not feasible. But, the method using activated carbon monolith can be used to withdrawal of heavy metals in waste water. After the electrochemical treatment, the quantitative properties in Ag ion solutions are also examined by pH concentration and studied elemental analysis by ICP-Atomic Emission Spectrometer and Energy Disperse X-ray (EDX) spectra. It is consider that the pH is very important factor at the reason of water pollutant with increasing acidity in industrial field. The result of quantitative analysis using Inductively Coupled Plasma-Atomic Emission Spectrometer of metal after electrochemical reaction in Ag ions solution depending on time are shown that the amount of Ag ions deposited was decreased with growth of Ag particles on the carbon surfaces as increasing electrochemically treated time. And, surface morphologies are investigated by scanning electron microscopy (SEM) to explain the changes in adsorption properties.

Susceptor design by numerical analysis in horizontal CVD reactor

  • Lee, Jung-Hun;Yoo, Jin-Bok;Bae, So-Ik
    • 한국결정성장학회지
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    • 제15권4호
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    • pp.135-140
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    • 2005
  • Thermal-fluid analysis was performed to understand the thermal behavior in the horizontal CVD reactor thereby to design a susceptor which has a uniform deposition rate during silicon EPI growing. Four different types of susceptor designs, standard (no hole susceptor), hole $\sharp$1 (240 mm), hole $\sharp$2 (150 mm) and hole $\sharp$3 (60 mm), were simulated by CFD (Computational Fluid Dynamics) tool. Temperature, gas flow, deposition rate and growth rate were calculated and analyzed. The degree of flatness of EPI wafer loaded on the susceptor was computed in terms of silicon growth rate. The simulation results show that the temperature and thermal distribution in the wafer are greatly dependent on inner diameter of hole susceptor and demonstrate that the introduction of hole in the susceptor can degrade wafer flatness. Maximum temperature difference appeared around holes. As the diameter of the hole decreases, flatness of the wafer becomes poor. Among the threes types of susceptors with the hole, optimal design which resulted a good uniform flatness ($5\%$) was obtained when using hole $\sharp$1.

1D-Coordination Polymer Formed by Structural Conversion of an Oxazolidine Ligand in Reaction with the Copper(II) Halides

  • Mardani, Zahra;Golsanamlou, Vali;Jabbarzadeh, Zahra;Moeini, Keyvan;Carpenter-Warren, Cameron;Slawin, Alexandra M.Z.;Woollins, J. Derek
    • 대한화학회지
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    • 제62권5호
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    • pp.372-376
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    • 2018
  • A 1D-coordination polymer of $1D-\{Cu({\mu}-picolinato)_2\}$ $\{Hakimi,\;2012\;\sharp73\}_n$ (1), was prepared by the reactions between 2-(2-(pyridin-2-yl)oxazolidin-3-yl)ethanol (AEPC) ligand and $CuCl_2$ or $CuBr_2$. The product was characterized by elemental analysis, UV-Vis, FT-IR spectroscopy and single-crystal X-ray diffraction. The X-ray analysis results revealed that the AEPC ligand, after reactions with the copper(II) chloride or bromide, gives the same product - $1D-\{Cu({\mu}-picolinato)_2\}_n$ (1). The coordination modes for various picolinate-based ligands were extracted from the Cambridge Structural Database (CSD). In the crystal structure of 1, the copper atom has a $CuN_2O_4$ environment and octahedral geometry, which is distorted by elongation of the axial bond lengths due to the Jahn-Teller effect.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

  • Guo, Huan-Mei;Wang, Xian;Jian, Fang Fang;Xiao, Hai Lian;Zhao, Pu Su
    • Bulletin of the Korean Chemical Society
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    • 제30권5호
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    • pp.1061-1066
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    • 2009
  • Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Effect of surface roughness on the quality of silicon epitaxial film grown after UV-irradiated gas phase cleaning

  • Kwon, Sung-Ku;Kim, Du-Hyun
    • 한국결정성장학회지
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    • 제9권5호
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    • pp.504-509
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    • 1999
  • In-situ cleaning and subsequent silicon epitaxial film growth were performed in a load-locked reactor equipped with Hg-grid UV lamp and PBN heater to obtain the smooth and contaminant-free underlying surface and develop low-temperature epitaxial film growth process. The removals of organic and native oxide were investigated using UV-excited $O_2$ and $NF_{3}/H_{2}$, and the effect of the surface condition was examined on the quality of silicon epitaxial film grown at temperature as low as $750^{\circ}C$. UV-excited gas phase cleaning was found to be effective in removing the organic and native oxide successfully providing a smooth surface with RMS roughness of 0.5$\AA$ at optimal condition. Crystalline quality of epitaxial film was determined by smoothness of cleaned surface and the presence of native oxide and impurity. Crystalline defects such as dislocation loops or voids due to the surface roughness were observed by XTEM.

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Lamp ZMR에 의한 SOI에서 비대칭 선형가열의 효과 (Effect of Asymmetric Line Heating in SOI Lamp ZMR)

  • 반효동;이시우;임인곤;주승기
    • 한국결정성장학회지
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    • 제2권2호
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    • pp.53-62
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    • 1992
  • SOI구조 형성을 위항 대용융 재결정(ZMR) 공정에서 타원형의 반사경을 기울여 빔강도분포를 인위적으로 변화시켜 실리콘 박막을 재결정시켰다. 비대칭 선형가열 효과를 해석하기 위하여 전산모사를 행하여 응고계면 근처에서의 온도분포와 열구배 변화를 조사하였다. 상부집속열원의 경사각이 증가할수록 액상의 과냉도와 실리콘 박막내의 결함열 간격은 증가하였다. 주된 결함은 연속적인 아결정립계였고 결함밀도가 낮은 경우는 isolated threading dislocations만이 관찰되었다. 단면 TEM과 박막 XRD 분석결과 실리콘 박막은 (100) 집합조직을 갖는 단결정 박막으로 재결정되었음을 확인할 수 있었다.

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표면분석에 의한 유리 용기내의 백색현상 연구 (Study on the whitening phenomenon on inside of glass bottle by surface analysis methods)

  • 강승구;이기강;김명석
    • 한국결정성장학회지
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    • 제6권4호
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    • pp.640-647
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    • 1996
  • 하절기에 장시간 창고에 보관된 일반 소다-라임-실리케이트 유리는 특별한 표면처리를 하지 않는 한 백색물질이 표면에 석출되는 weathering 현상이 나타날 수 있다. 본 연구는 유리병 내벽 표면에 생성된 백색물질을 습식법 및 표면분석법 등을 이용하여 분석하고 대기의 변화에 따른 weathering 정도를 연구하였다. 표면에 석출된 백색의 물질은 육각관상의 Na$_2$CO$_3$${\cdot}$H$_2$O와 CaCO$_3$로 규명되었다. 해안지방에서 제조-보관되었던 유리병 표면은 내륙지방의 유리병에 비해 weathering된 깊이가 3배 정도로 그 정도가 심하여 weathering이 대기중의 수분량에 크게 의존함을 알 수 있었다.

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Capillary Electrochromatography with Liquid Crystal Crown Ether Modified Hybrid Silica Monolith for Analysis of Imidacloprid and Carbendazim in Tomatoes

  • Wang, Mingming;Feng, Rui;Shen, Jing;Chen, Hao;Zeng, Zhaorui
    • Bulletin of the Korean Chemical Society
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    • 제33권7호
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    • pp.2224-2228
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    • 2012
  • This study describes the ability of capillary electrochromatography (CEC) for the determination of imidacloprid and carbendazim in tomato samples. A novel liquid crystal crown ether modified hybrid silica monolithic column was synthesized, characterized and developed as separation column for the first time. Baseline separation of imidacloprid and carbendazim could be achieved using a mobile phase containing 90% (v/v) 20 mmol/L phosphate buffer (pH 7.0) and 10% (v/v) acetonitrile. The matrix matched calibration curves were linear with correlation coefficient $r^2$ > 0.9998 in the range of 0.20-10.00 mg/L. The limits of detection for imidacloprid and carbendazim were 0.061 and 0.15 mg/kg, respectively, which were below the maximum residue limits established by the European Union as well as Codex Alimentarius. Average recoveries for imidacloprid and carbendazim varied from 101.6-108.0% with relative standard deviations lower than 6.3%. This method was applied to the analysis of tomatoes collected from local markets.

One-Pot Synthesis, Crystal Structures and Thermal Properties of Two Three-Dimensional Cobalt(II) Complexes

  • Tao, Bo;Lei, Wen;Cheng, Feiran;Xia, Hua
    • Bulletin of the Korean Chemical Society
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    • 제33권6호
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    • pp.1929-1933
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    • 2012
  • Two cobalt(II) compounds $[Co(2,2{^\prime}-bipy)(H_2O)_2(SO_4)]_n$ (1) and $[Co_2(2,2^{\prime}-bipy)_2(btec)(H_2O)_6]{\cdot}2H_2O$ (2) (2,2'-bipy = 2,2'-bipyridine, $H_4btec$ = 1,2,4,5-benzenetetracarboxylic acid), have been simultaneously synthesized by a one-pot slow solvent evaporation reaction. Their structures were determined by single-crystal X-ray diffraction and further characterized by X-ray powder diffraction (XRPD), IR, elemental and thermogravimetric analysis (TGA). The structural analysis reveals that compound 1 exhibits an infinite 1D chain structure with the octahedral Co(II) centers bridging by the tetrahedral ${\mu}_2-SO{_4}^{2-}$ ligands, while compound 2 possesses a dinuclear $Co_2(2,2^{\prime}-bipy)_2(btec)(H_2O)_6$ unit and the two adjacent octahedral Co(II) ions are linked by the bismonodentately coordinated btec ligand. Additionally, compound 2 exhibits blue fluorescent emission in the solid state at room temperature.

Experimental and ab initio Computational Studies on Dimethyl-(4-{4-{3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenyl)-amine

  • Yuksektepe, Cigdem;Saracoglu, Hanife;Caliskan, Nezihe;Yilmaz, Ibrahim;Cukurovali, Alaaddin
    • Bulletin of the Korean Chemical Society
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    • 제31권12호
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    • pp.3553-3560
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    • 2010
  • A new hydrazone derivative compound has been synthesized and characterized by IR, $^1H$-NMR, $^{13}C$-NMR and UV-vis. spectroscopy techniques, elemental analysis and single-crystal X-ray diffraction (XRD). The new compound crystallizes in monoclinic space group C2/c. In addition to the crystal structure from X-ray experiment, the molecular geometry, vibrational frequencies and frontier molecular orbitals analysis of the title compound in the ground state have been calculated by using the HF/6-31G(d, p), B3LYP/6-311G(d, p) and B3LYP/6-31G(d, p) methods. The computed vibrational frequencies are used to determine the types of molecular motions associated with each of the observed experimental bands. To determine conformational flexibility, molecular energy profile of (1) was obtained by semi-empirical (AM1) calculation with respect to a selected degree of torsional freedom, which was varied from $-180^{\circ}$ to $+180^{\circ}$ in steps of $10^{\circ}$. Molecular electrostatic potential of the compound was also performed by the theoretical method.