• 제목/요약/키워드: Chemical-structural properties

검색결과 965건 처리시간 0.026초

Structure and Magnetic Properties of a Fe73.5Si13.5B9Nb3Cu1 Alloy Nanopowder Fabricated by a Chemical Etching Method and Milling Procedure

  • Hong, Seong-Min;Kim, Jeong-Gon;Kim, Cheol-Gi
    • Journal of Magnetics
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    • 제14권2호
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    • pp.71-74
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    • 2009
  • The magnetic and structural properties of FINEMET (the Hitachi product name of the Fe-Si-B-Nb-Cu alloy) nanopowder with a composition of $Fe_{73.5}Si_{13.5}B_9Nb_3Cu_1$ atomic percent were investigated after annealing, chemical etching, and mechanical milling. The primary and secondary crystallization temperatures were 523 and $550^{\circ}C$, respectively. The grain size of the particles was adjusted by annealing time. Optimally annealed particles exhibited a homogenous microstructure composed of nanometer-sized crystalline grains. The grain boundary of the annealed particles was etched preferentially by chemical etching. Chemically etched particles were broken at the grain boundary by high-energy ball milling. As a result, a nanometer-sized FINEMET powder with a uniform size of crystalline grains was fabricated.

Molecular Dynamics Simulations of Small n-Alkane Clusters in a Mesoscopic Solvent

  • Ko, Seo-Young;Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.771-776
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    • 2003
  • The structural and dynamic properties of small n-alkane clusters embedded in a mesoscopic solvent are investigated. The solvent interactions are taken into account through a multi-particle collision operator that conserves mass, momentum and energy and the solvent dynamics is updated at discrete time intervals. The cluster molecules interact among themselves and with the solvent molecules through intermolecular forces. The properties of n-heptane and n-decane clusters interacting with the mesoscopic solvent molecules through repulsive Lennard-Jones interactions are studied as a function of the number of the mesoscopic solvent molecules. Modifications of both the cluster and solvent structure as a result of cluster-solvent interactions are considered. The cluster-solvent interactions also affect the dynamics of the small n-alkane clusters.

Microstructure and Electrical Properties of Poly-N-isopropylacrylamide- N-vinylcarbazole Copolymers

  • Pierson, R.;Basavaraja, C.;Kim, Na-Ri;Jo, Eun-Ae;Huh, Do-Sung
    • Bulletin of the Korean Chemical Society
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    • 제30권9호
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    • pp.2057-2060
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    • 2009
  • Conducting poly-N-isopropylacrylamide-N-vinyl carbazole (PNI-nvc) copolymers were synthesized via in situ deposition technique by dissolving different weight percentages of N-vinyl carbazole (10, 20, 30, and 40%). The structural morphology and FT-IR studies support the interaction between PNI and N-vinyl carbazole. The temperaturedependent DC conductivity of PNI-nvc was studied within the range of 300 ${\leq}\;T\;{\leq}$ 500 K, presenting evidence for the transport properties of PNI-nvc. The DC conductivity of PNI-nvc copolymers signifies the future development of new nanocopolymers that acts as a multifunctional material.

Dielectric properties of Pr$_2$O$_3$ high-k films grown by metalorganic chemical vapor deposition on silicon

  • Nigro, Raffaella-Lo;Vito Raineri;Corrado Bongiomo
    • E2M - 전기 전자와 첨단 소재
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    • 제16권9호
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    • pp.65.2-65
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    • 2003
  • Praseodymium oxid ($Pr_2$$O_3$) thin films have been deposited on Si(100) substrates by metalorganic chemical vapor deposition using praseodymium tris-2,2,6,6-tetramethyl-3,5-heptandionate as source material. Film structural, morphological, and compositional characterizations have been carried out. Dielectric properties have been studied as well by capacitance-voltage and current-voltage measurements on metal-oxide-semiconductor capacitors of several areas. The $Pr_2$$O_3$ films have shown a dielectric constant = 23-25 and a leakage current density of $8.8{\times}10$-e $A/\textrm{mm}^2$ at +1 V.

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이미다졸린형 양쪽성계면활성제의 화학구조적 특성 (Chemical Structural Characteristics of the Amphoteric Imidazoline Surfactants)

  • 노윤찬;남기대
    • 공업화학
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    • 제5권5호
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    • pp.749-755
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    • 1994
  • 이미다졸린형 화합물은 화장품을 비롯한 여러 공업분야에서 응용되어 왔다. 이 물질은 거의 모든 pH 범위에서 사용이 가능하며 비자극성의 특성 때문에 그 사용이 지속적으로 증가되고 있다. 공업적 응용에 있어서는 보다 안전성이 요구되고 있기 때문에 새로운 기능을 갖는 양쪽성계면활성제의 이용이 더욱 증가될 것으로 본다. 그리하여 이미다졸린형 양쪽성계면활성제의 화학구조적 특성에 관한 일반성을 기술하였다.

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Stability and Electronic Properties of the Adsorption of Molecular Hydrogen on Metal-containing Single-walled Carbon Nanotubes

  • Michael, Mananghaya
    • 대한화학회지
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    • 제59권5호
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    • pp.429-433
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    • 2015
  • The binding ability and hydrogen storage capacity of nitrogen doped carbon nanotube with divacancy (4NDCNxNT) that is decorated with transition metals was investigated based on density functional theory calculations. Results indicate that scandium shows an ideal reversible hydrogen binding capability with promising system-weight efficiency compared with other transition metals when functionalized with 4ND-CNxNT. The (Sc/4ND)10-CNxNT can store up to 50H2 molecules, corresponding to a maximum gravimetric density of 5.8 wt%. Detailed structural stability and electronic properties were reported as hydrogen molecules were absorbed. It takes about 0.16 eV/H2 to add one H2 molecule, which assures reversible storage of H2 molecules under ambient conditions.

초음파분무법을 이용한 산화철이 혼합된 ZnO막의 제조 (Preparation of Iron Oxide-mixed ZnO films by Ultrasonic Spray Pyrolysis)

  • 최무희;마대영
    • 한국전기전자재료학회논문지
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    • 제19권1호
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    • pp.58-63
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    • 2006
  • In this Paper, ZnO films mixed with iron oxide were prepared by an ultrasonic spray pyrolysis method. The chemical composition and structural properties as a function of the Fe atomic ratio in the deposition solution were studied. Zinc acetate and ferrous chloride were used as precursors of Zn and Fe, respectively. Fe atomic ratio to Zn varied from 0.15 to 10.0. Substrate temperature was fixed at $250^{\circ}C$. The crystallographic properties and surface morphologies of the films were studied by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. Electron probe X-ray microanalysis (EPMA) and X-ray photoelectron spectroscopy (XPS) were carried out to analyse the chemical composition and state of Zn and Fe atoms.

Annealing Effect on Structural, Electrical and Optical Properties of CdS Films Prepared by CBD Method

  • Haider, Adawiya J.;Mousa, Ali M.;Al-Jawad, Selma M.H.
    • JSTS:Journal of Semiconductor Technology and Science
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    • 제8권4호
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    • pp.326-332
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    • 2008
  • In this work CdS films were prepared by using chemical bath deposition, which is simple and inexpensive technique suitable for large deposition area. Annealing in air at different temperatures (300, 350, 400, 450 and $500^{\circ}C$) at constant time of 30 min, also for different times (15, 30, 45, 60 and 90 min) at constant temperature ($300^{\circ}C$) is achieved. X-Ray analysis has confirmed the formation of cadmium oxide (CdO) with slight increase in grain size, shift towards lower scattering angle due to relaxation in the tensile strain for deposition films, and structure change from cubic and hexagonal to the hexagonal. From electrical properties, significant increase in electrical conductivity appeared in samples annealed at $300^{\circ}C$ for 60 min, and at $350^{\circ}C$ for 30 min.

Molecular Dynamics Simulation Studies of Benzene, Toluene, and p-Xylene in a Canonical Ensemble

  • Kim, Ja-Hun;Lee, Song-Hui
    • Bulletin of the Korean Chemical Society
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    • 제23권3호
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    • pp.441-446
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    • 2002
  • We have presented the results of thermodynamic, structural and dynamic properties of liquid benzene, toluene, and p-xylene in canonical (NVT) ensemble at 293.15 K by molecular dynamics (MD) simulations. The molecular model adopted for these molecules is a combination of the rigid body treatment for the benzene ring and an atomistically detailed model for the methyl hydrogen atoms. The calculated pressures are too low in the NVT ensemble MD simulations. The various thermodynamic properties reflect that the intermolecular interactions become stronger as the number of methyl group attached into the benzene ring increases. The pronounced nearest neighbor peak in the center of mass g(r) of liquid benzene at 293.15 K, provides the interpretation that nearest neighbors tend to be perpendicular. Two self-diffusion coefficients of liquid benzene at 293.15 K calculated from MSD and VAC function are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene also agree well with the experimental ones for toluene in benzene and for toluene in cyclohexane.

CBD법으로 제작된 CdS 박막의 thiourea/CdAc2 농도비에 따른 특성 (Properties of CdS Thin Films Prepared by Chemical Bath Deposition as a Function of Thiourea/CdAc2 Ratio in Solution)

  • 송우창
    • 한국표면공학회지
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    • 제41권1호
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    • pp.28-32
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    • 2008
  • In this paper CdS thin films, which were widely used window layer of the CdS/CdTe and the CdS/$CuInSe_2$ heterojunction solar cell, were grown by chemical bath deposition, which is a very attractive method for low-cost and large-area solar cells, and the structural, optical and electrical properties of the films was studied. As the thiourea/$CdAc_2$ mole ratio was increased, the deposition rate of CdS films prepared by CBD was increased due to increasing reaction velocity in solution and the optical bandgap was increased at higher thiourea/$CdAc_2$ mole ratio due to larger grain size and continuous microstructure. The minimum resistivity of the films was at thiourea/$CdAc_2$ mole ratio of 3.