• Title/Summary/Keyword: Co substitution

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Effect of Co substitution on NiSi and $NiSi_2$: ab initio calculation (NiSi와 $NiSi_2$에 대한 Co 치환의 영향: ab initio 계산)

  • Kim, Yeong-Cheol;Seo, Hwa-Il
    • Journal of the Semiconductor & Display Technology
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    • v.6 no.3
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    • pp.13-17
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    • 2007
  • Effect of Co substitution on crystal structures of two nickel silicides, NiSi and $NiSi_2$, is investigated by using an ab initio calculation. Relaxed NiSi and $NiSi_2$ structures are calculated and the calculated lattice parameters are in good agreement with experimentally determined lattice parameters within about 2%. A Co atom substitutes a Ni and Si site, respectively, to evaluate the preferable site between them. Co prefers Ni site to Si site in both NiSi and $NiSi_2$. The calculated total energy also indicates that the Co substitution to Ni site stabilizes both the NiSi and $NiSi_2$ structures. Co also prefers Ni site in $NiSi_2$ to that in NiSi, indicating that $NiSi_2$ becomes more stable than NiSi with Co substitution. As Co addition to NiSi improves its thermal stability experimentally, this indicates that the energy barrier between the two phases is high enough to prevent the phase transformation from NiSi to $NiSi_2$ up to high temperature.

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Effect of Co-Substitution on the Crystallization and Magnetic Properties of a Mechanically Milled Nd15(Fe1-xCox)77B8 (x=0-0.6) Alloy

  • Kwon, H.W.;Yang, C.J.
    • Journal of Magnetics
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    • v.7 no.4
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    • pp.143-146
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    • 2002
  • Mechanical milling technique is considered to be a useful way of processing the fine Nd-Fe-B-type powder with high coercivity. In the present study, phase evolution of the $Nd_{15}(Fe_{1-x}Co_{x})_{77}B_{8}$ (x=0-0.6) alloys during the high energy mechanical milling and annealing was investigated. The effect of Co-substitution on the crystallization of the mechanically milled $Nd_{15}(Fe_{1-x}Co_{x})_{77}B_{8}$ amorphous material was examined. The Nd-Fe-B-type alloys can be amorphized completely by a high-energy mechanical milling. On annealing of the amorphous material, fine $\alpha$-Fe crystallites form first from the amorphous. These fine $\alpha$-Fe crystallites reacts with the remaining amorphous afterwards, leading to crystallization to $Nd_2Fe_{14}$B phase. The Co-substitution for Fe in $Nd_{15}(Fe_{1-x}Co_{x})_{77}B_{8}$ ($\mu$x=0∼0.6) alloys lower significantly the crystallization temperature of the amorphous phase to the $Nd_2Fe_{14}$B phase. The mechanically milled and annealed $Nd_{15}Fe_{77}B_8$ alloy without Co-substitution exhibits consistently better magnetic properties with respect to the alloys with Co-substitution.

Ab-initio calculation on Co substitution into NiSi (NiSi에의 Co 치환에 대한 ab-initio 계산)

  • Kim, Yeong-Cheol;Seo, Hwa-Il
    • Korean Journal of Materials Research
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    • v.17 no.7
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    • pp.358-360
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    • 2007
  • Cobalt subtitution on NiSi is investigated by using an ab-initio calculation. Firstly, a relaxed NiSi structure is calculated and the calculated lattice parameters are compared with experimentally determined lattice parameters. The calculated values are smaller than the experimental values by about 2%. As the calculation is based on 0 K, and the experimental measurement is performed at room temperature, those values are in good agreement. Next, a Co atom substitutes a Ni and Si site, respectively, to evaluate the preferable site between them. Co prefers Ni site to Si site. The calculated total energy also indicates that the Co substitution to Ni site stabilizes the NiSi structure. Therefore, the thermal stability of NiSi with Co addition can be achieved by the structure stabilization of NiSi by Co substitution into Ni site of NiSi.

Magnetic and Microwave Absorbing Properties of Ti-and Co-Substituted Barium Ferrite (BaFe12-2X TiXCoXO19)

  • Han-Shin Cho;Yong-Jin Kim;Sung-Soo Kim
    • Journal of Magnetics
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    • v.4 no.2
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    • pp.65-68
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    • 1999
  • The M-type barium ferrite ($BaFe_{12}O_{19}$) is well known magnetic material to be used as a permanent magnet due to its strong uniaxial anisotropy. The substitution of nonmagnetic $Ti^{+4}$ and magnetically weak $Co+^2ion for Fe^{+3}$ to its strong uniaxial anisotropy. The substitution of nonmagnetic $Ti^{+4}$ and magnetically weak $Co+^2ion for Fe^{+3}$ sublattices reduces the uniaxial anisotropy and those compounds open a new application field of noise suppressor at high frequencies. In this study, the magnetic and microwave absorbing properties are investigated in Ti-and Co-substituted barium ferrites ($BaFe_{12-2X} Ti_XCo_XO_{19}$). The saturated magnetization decreases linearly with the substitution of Ti and Co. The rapid drop in coercive force is observed with Ti and Co substitution upto x=1.2. The magnetic permeability spectrum shows the natural magnetic resonance in the specimens with small coercive force and large attenuation of microwave is predicted in those specimens at high frequencies (above 4 GHz).

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Dielectric and Magnetic Properties of Niobium and Cobalt Co-substituted Multiferroic BiFeO3 Thin Films (Niobium과 Cobalt를 첨가한 Multiferroic BiFeO3 박막의 유전 특성 및 자성 특성)

  • Jun, Youn-Ki;Hong, Seong-Hyeon
    • Journal of the Korean Ceramic Society
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    • v.45 no.9
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    • pp.556-560
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    • 2008
  • The effects of Nb and Co ion substitution on the dielectric and magnetic properties of the multiferroic $BiFeO_3$ thin films have been investigated. Heteroepitaxial $BiFeO_3$ thin films were deposited by Pulsed Laser Deposition method. Nb substitution decreased the leakage current by 6 orders of magnitude and Co substituted $BiFeO_3$ thin films showed an enhanced magnetization, 2 times larger than that of un-substituted $BiFeO_3$. Through the co-substitution of Co and Nb, $BiFeO_3$ thin films with a low leakage current and an enhanced magnetization could be obtained.

Fundamental Characteristics of CO2-cured Mortar with Varied Rates of Blast Furnace Slag Fine Powder Substitution (고로슬래그 미분말 치환율에 따른 이산화탄소 양생 모르타르의 기초 물성)

  • Ryu, Ji-Su;Jang, Kyung-Su;Na, Hyeong-Won;Hyung, Won-Gil
    • Journal of the Korea Institute of Building Construction
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    • v.24 no.1
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    • pp.11-21
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    • 2024
  • This research elucidates the fundamental properties of carbon dioxide (CO2)-cured mortar as influenced by varying substitution rates of blast furnace slag fine powder. The findings indicate that CO2 curing enhances the formation of calcium carbonate (CaCO3), contributing to pore reduction and the early development of strength. While calcium hydroxide (Ca(OH)2) plays a more pivotal role in the primary development of strength compared to CaCO3, an increase in the substitution rate of blast furnace slag fine powder results in reduced production of Ca(OH)2. Nonetheless, the maintenance of strength through CaCO3 formation is observed even after the depletion of Ca(OH)2, suggesting that the required performance can be sustained post-exposure to the atmosphere following CO2 curing. It is noted that substitution rates exceeding 50% lead to performance deterioration due to CO2, highlighting the necessity for careful adjustment of the substitution ratio.

Catalytic Combustion of Methane over Perovskite-Type Oxides

  • Hong, Seong-Soo;Sun, Chang-Bong;Lee, Gun-Dae;Ju, Chang-Sik;Lee, Min-Gyu
    • Environmental Sciences Bulletin of The Korean Environmental Sciences Society
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    • v.4 no.2
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    • pp.95-102
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    • 2000
  • Methane combustion over perovskite-type oxides prepared using the malic acid method was investigated. To enhance the catalytic activity, the perovskite oxides were modified by the substitution of metal into their A or B site. In addition, the reaction conditions, such as the temperature, space velocity, and partial pressure of the methane were varied to understand their effect on the catalytic performance. With the LaCoO3-type catalyst, the partial substitution of Sr or Ba into site A enhanced the catalytic activity in the methane combustion. With the LaBO3(B=Co, Fe, Mn, Cu)-type catalyst, the catalytic activities were exhibited in the order of Co>Fe Mn>Cu. Futhermore, the partial substitution of Co into site B enhanced the catalytic activity, whereas an excess amount of Co decreased the activity. The surface area and catalytic activity of the perovskite catalysts prepared using the malic acid method showed higher values than those prepared using the solid reaction method. The catalytic activity was enhanced with decreased methane concentration and with a decrease in the space velocity.

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Kinetics and Stereochemistry of CO Substitution Reactions of Half-Open Chromocene Carbonyls(Ⅲ): Reactions of $Cp^{*}(\eta^{5}-C_{5}H_{7})$CrCO and Phosphines

  • Jong-Jae Chung;Byung-Gill Roh;Yu-Chul Park
    • Bulletin of the Korean Chemical Society
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    • v.14 no.5
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    • pp.549-554
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    • 1993
  • The CO substitution reactions in the complex, $Cp^*(C_5H_7)$CrCO with $PR_3(PR_3=PMePh_2,\;P(OCH_3)_3,\;PMe_2Ph)$ were investigated spectrophotometrically at various temperatures. For the reaction rates, it was suggested that the CO substitution reaction took place by first-order (dissociative) pathway. Activation parameters in decaline are ${\Delta}H^{\neq}= 21.99{\pm}2.4$ kcal/mol, ${\Delta}S^{\neq}= 8.9{\pm}7.1$ cal/mol·k. Unusually low value of ${\Delta}S^{\neq}$, suggested an ${\eta}^5-S{\to}\;{\eta}^5$-U conversion of the pentadienyl ligand. At various temperature, the rates of reaction for the Cp(pdl)CrCO complexes increase in the order $Cp^*(C_5H_7)$-CrCO < Cp$(C_5H_7)$CrCO < Cp(2,4-$C_5H_{11}$)CrCO, which can be attributed to the usual steric acceration or electronic influence for the ligand substitution of metal complexes. This suggestion was confirmed by the extended-Huckel molecular orbital (EHMO) calculations, which revealed that the energy of $[Cp^*(U-C_5H_7)Cr]^{\neq}$ transition state is about 4.93 kcal/mol lower than that of [Cp(S-$C_5H_7)Cr]^{\neq}$ transition state, and the arrangement of the overlap populations between Cr and the carbon of CO is $Cp^*(C_5H_7)$CrCO > Cp($C_5H_7$)CrCO > Cp(2,4-$C_7H_{11}$)CrCO.

Substitutions of coloring ions and their effects on wagnerite pigments for cetamic glazes (도자기 유약용 wagnerite의 합성 및 발색원소의 영향)

  • 정용선;오근호
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.8 no.1
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    • pp.160-168
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    • 1998
  • In order to investigate the color variation and the solubility limit in wagnerites by metal ion substitution, wagnerite ($A_2XO_4Z$) was synthesized and then, substituted by coloring metal ions, especially $CO^{2+},Ni^{2+}$ and $Cu^{2+}$ ions. When calcium was replaced with Mg, Co, Ni and Cu divalent ions, solid solutions were formed with a limited solubility. Single phase wagnerites were synthesized by the substitution of Ca with Mg and Co, and their colors were white and purple, respectively. Substitutions with $Li^+$ were succeeded in the specific composition and the substitution of vanadium for $X^{5+}$ were attempted, resulting in the wagnerites of dark purple, dark gold and light yellow colors. The substitution of chlorine was, also, attmepted for the fluorine site.

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HDDR Characteristics and Magnetic Properties of Nd15(Fe1-xCox)77B8(x=0-0.6) Alloys

  • Kwon, H.W.
    • Journal of Magnetics
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    • v.7 no.4
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    • pp.127-131
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    • 2002
  • HDDR characteristics and magnetic properties of $Nd_{15}{(Fe_{1-x}Co_{x})}_{77}B_{8}$(x=0-0.6) alloys were investigated. The effect of applying magnetic field during the recombination step on the anisotropic nature of the HDDR-treated material was also examined. The $Nd_{15}{(Fe_{1-x}Co_{x})}_{77}B_{8}$ phase in the Nd-Fe-B alloys with high Co-substitution alloy had remarkably enhanced phase stability. The $Nd_{15}{(Fe_{1-x}Co_{x})}_{77}B_{8}$(x=0-0.6) alloys with high Co-substitution could be HDDR-treated successfully by only using high pressure hydrogen. However, these alloys had no appreciable coercivity. The poor coercivity of the HDDR-treated $Nd_{15}{(Fe_{1-x}Co_{x})}_{77}B_{8}$(x=0-0.6) alloys with high Co-substitution was attributed to the $Nd{(Fe,Co)}_2$ phase in the alloys. The magnetic filed applied during the recombination step had little effect on the anisotropic nature of the HDDR-treated powder.