• Title/Summary/Keyword: 3d and 4d transition metal

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Hydrothermal Synthesis of Metal-doped BiVO4 Powder and its Thermochromic Properties (금속이 도핑된 BiVO4 분말의 수열 합성 및 이의 열 변색 특성)

  • Wu, Guan Zhu;Son, Dae Hee;Jin, Young Eup;Lee, Gun-Dae;Park, Seong Soo
    • Applied Chemistry for Engineering
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    • v.26 no.6
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    • pp.681-685
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    • 2015
  • In this study, pure $BiVO_4$ powder and metal-doped $M-BiVO_4$ (M = Mg, Cu) powder, well known as thermochromic materials, were prepared from a mixed aqueous solution of bismuth nitrate ($Bi(NO_3)_3$) and ammonium vanadate ($NH_4VO_3$) in autoclave by hydrothermal method. The crystal structure, microstructure, and thermochromic property of samples were analyzed using FE-SEM, FT-IR, XRD, DSC, UV-Vis-NIR spectroscopy and colorimeter. When heating samples above phase transition temperature, the color of $M-BiVO_4$ (M = Mg, Cu) sample was thermally changed more clearly than that of using only pure $BiVO_4$ sample.

Fabrication of 3D Aligned h-BN based Polymer Composites with Enhanced Mechanical Properties for Battery Housing (3차원으로 정렬된 h-BN을 이용한 향상된 기계적 특성을 가지는 배터리 하우징용 고분자 복합소재 제작)

  • Kiho Song;Hyunseung Song;Sang In Lee;Changui Ahn
    • Journal of Powder Materials
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    • v.31 no.4
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    • pp.329-335
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    • 2024
  • As the demand for electric vehicles increases, the stability of batteries has become one of the most significant issues. The battery housing, which protects the battery from external stimuli such as vibration, shock, and heat, is the crucial element in resolving safety problems. Conventional metal battery housings are being converted into polymer composites due to their lightweight and improved corrosion resistance to moisture. The transition to polymer composites requires high mechanical strength, electrical insulation, and thermal stability. In this paper, we proposes a high-strength nanocomposite made by infiltrating epoxy into a 3D aligned h-BN structure. The developed 3D aligned h-BN/epoxy composite not only exhibits a high compressive strength (108 MPa) but also demonstrates excellent electrical insulation and thermal stability, with a stable electrical resistivity at 200 ℃ and a low thermal expansion coefficient (11.46×ppm/℃), respectively.

The Effect of Ligand's Spin-Orbit Coupling and the Intermixing of │3d 〉 and │4p 〉 Cu Atomic Orbitals on Zero-Field Splitting in the Tetragonally Distorted Tetrahedral $CuCl_4^{2-}\;Complex^\ast$ (Cu 3d 와 4p 궤도함수의 혼성과 리간드의 Spin-Orbit Coupling 이 Tetragonally 일그러진 $CuCl_4^{2-}$ 착물의 Zero-Field Splitting에 미치는 영향)

  • Lee, Wang No;Choe, U Seong;Baek, U Hyeon;Kim, Dong Hui;Choe, Chang Jin;Lee, Gi Gye
    • Journal of the Korean Chemical Society
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    • v.34 no.1
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    • pp.37-43
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    • 1990
  • An effect of the spin-orbit coupling interaction of ligand orbitals and the intermixing │3d 〉and│4p > transition metal atomic orbitals on the ground state for a 3$d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry that belongs to the $D_{2d}$ point group has been investigated in this work, applying the degenerate perturbation theory. An LCAO-MO analysis in terms of the known energies of the d-d transitions for the tetragonally distorted $CuCl_4^{2-}$ ion in a single crystal of$Cs_2CuCl_4$shows that the covalent mixing of Cu 3d and ligand Cl 3p orbitals decreases dramatically with increasing Cu 4p contribution. The extent of effect on the energy level splitting for the ground state by the spin-orbit coupling interaction of ligand orbitals decreases significantly in orderTEX>$\Gamma_7(E)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_7(E)$.

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Studies of Nonstoichiometry and Physical Properties of the Perovskite $Sm_{1-x}Sr_xCoO_{3-y}$ System

  • 강진우;류광현;여철현
    • Bulletin of the Korean Chemical Society
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    • v.16 no.7
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    • pp.600-603
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    • 1995
  • A series of samples in the Sm1-xSrxCoO3-y(x=0.00, 0.25, 0.50, 0.75 and 1.00) system has been prepared at 1200 ℃ under ambient atmosphere. The X-ray diffraction patterns of the samples with x=0.00 and 0.25 are indexed with orthorhombic symmetry like GdFeO3 and x=0.50 appears to be perfectly cubic. In the tetragonal system (x=0.75), the structure is similar to that of SrCoO2.80. The composition of x=1.00, SrCoO2.52, shows the brownmillerite-type structure. The reduced lattice volume is increased with x value in this system. The chemical analysis shows the τ value (the amount of the Co4+ ions in the system) is maximized at the composition of x=0.50. Nonstoichiometric chemical formulas are determined by the x, τ and y values. The electrical conductivity has been measured in the temperature range of 78 to 1000 K. The activation energy is minimum for those of x=0.25 and x=0.50 with metallic behavior. First-order semiconductor-to-metal transition of SmCoO3 is not observed. Instead, a broad, high-order semiconductor-to-metal transition is observed. In general, the effective magnetic moment is increased with increasing τ values at low temperature. At high temperature, the magnetic moment is maximum for that of x=0.00. The 3d-electrons are collective and give ferromagnetism in x=0.50.

VOCs Oxidation Characteristics of Transition $Metals/\gamma-Al_2O_3$ Catalyst (전이금속/$\gamma-Al_2O_3$ 촉매의 VOCs 산화특성)

  • Kim, Bong-Soo;Park, Yeong-Seong
    • Journal of Korean Society of Environmental Engineers
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    • v.29 no.4
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    • pp.444-451
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    • 2007
  • Catalytic oxidation characteristics of benzene as a VOC was investigated using a fixed bed reactor system over transition $metals/\gamma-Al_2O_3$ catalysts. As transition metals, eight metals including copper, nickel, manganese, iron etc. were adopted. The parametric tests were conducted at the reaction temperature range of $200\sim500^{\circ}C$, benzene concentration of $1,000\sim3,000$ ppm, and space velocity range of $5,000\sim60,000\;hr^{-l}$. The property analyses such as BET, SEM, XRD and the conversions of catalytic oxidation of VOC were examined. The experimental results showed that the conversion was increased with decreasing VOC concentration and space velocity. It was also found that $Cu/\gamma-Al_2O_3$ catalyst calcinated at $500^{\circ}C$ showed the highest activity for the oxidation of benzene and 15% metal loading was the optimum impregnation level.

The Study of Evaluation Methods of Electrolyte for Li/SO2Cl2 Battery (Li/SO2Cl2 전지용 전해액의 평가 방법 연구)

  • Roh, Kwang Chul;Cho, Min-Young;Lee, Jae-Won;Park, Sun-Min;Ko, Young-Ok;Lee, Jeong-Do;Chung, Kwang-il;Shin, Dong-Hyun
    • Applied Chemistry for Engineering
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    • v.22 no.1
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    • pp.67-71
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    • 2011
  • The cathodic active material of $Li/SO_2Cl_2$ battery is $SO_2Cl_2$, which is the solvent of an electrolyte. It is referred to as a catholyte, a compound word of cathode and electrolyte. As the battery discharges, the catholyte burns out. And thus, the characteristics of the $SO_2Cl_2$ in the battery determine the capacity. In addition, the transition minimum voltage (TMV) and the voltage delay deviation of $Li/SO_2Cl_2$ battery are due to the passivation film formed by the reaction between an electrolyte and Li. Impurities in the electrolyte, such as moisture or heavy metal ions, will accelerate the growth of the passivation film. Therefore, a technology must be established to purify an electrolyte and to ensure the effectiveness of the purification method. In this research, $LiAlCl_4/SO_2Cl_2$ was manufactured using $AlCl_3$ and LiCl. Its concentration, the amount of moisture, and the metal amount were evaluated using an ionic conductivity meter, a colorimeter, and FT-IR.

Novel Thallium(I)-Selective Membrane Electrode Based on a Podal Ligand

  • Ganjali, Mohammad Reza;Pourjavid, Mohammad Reza;Mouradzadegun, Arash;Hosseini, Morteza;Mizani, Farhang
    • Bulletin of the Korean Chemical Society
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    • v.24 no.11
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    • pp.1585-1589
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    • 2003
  • A PVC-based membrane electrode for thallium(I) ions based on 1,21,23,25-tetramethyl-2,20: 3,19-dimetheno-[H, 2] H, 23H, 25H-bis-[1,3] dioxocino[5,4-i:5',4'-i] benzo [1,2-d: 5.4-d'] bis [1,3] benzodioxocin(II) has been prepared. The electrode displays a linear dynamic range of $1.0{\times}10^{-1}-1.0{\times}10^{-5}$ M, with a Nernstian slope of $59.8{\pm}0.2\;mV\;{decad^-1}$, and a detection limit $5.0{\times}10^{-6}$ M. It has a very fast response time of<10 s and can be used for at least ten weeks without a considerable divergence in potentials. This electrode revealed comparatively good selectivity with respect to alkali, alkaline earth, and some transition and heavy metal ions and was effective in a pH range of 2.0-10.0. It was used as an indicator electrode in potentiometric titration of thallium ion with sulfide ion.

Calculation of the Dipole Moments for Transition Metal Complexes by Valence Bond Method (I). Calculation of the Dipole Moments for Octahedral $[M(III)O_3S_3]$ Type Complexes [M(III) = V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) and Os(III)] (원자가 결합법에 의한 전이원소 착물에 대한 쌍극자모멘트의 계산 (제1보). 팔면체 $[M(III)O_3S_3]$ 형태 착물의 쌍극자모멘트의 계산 [M(III) = V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) 및 Os(III)])

  • Sangwoon Ahn;Jeoung Soo Ko
    • Journal of the Korean Chemical Society
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    • v.23 no.4
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    • pp.198-205
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    • 1979
  • A valence bond method of calculation of the dipole moments for octahedral $(M(III)0_3S_3)$ type complexes are developed, using $d^2sp^3 $hybrid orbitals of the central metal ions and the single basis set orbital of ligands. (M (III) =V (III), Cr (III), Mn (III), Fe (III), Co (III), Ru (III), Rh (III) and OS (III)). In this method the mixing coefficient of the valence basis sets for the central metal ion with the appropriate ligand orbitals is not required to be the same, differently from the molecular orbital method. The valence bond method is much more easier to calculate the dipole moments for octahedral complexes than the approximate molecular orbital method and the calculated results are also in the range of the experimental vaues.

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Electrical Transport Properties of LaNi1-xTixO3(x∼0.5) Ceramics (LaNi1-xTixO3(x∼0.5) 세라믹스의 전기전도 특성)

  • Jung, Woo-Hwan
    • Korean Journal of Materials Research
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    • v.19 no.4
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    • pp.186-191
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    • 2009
  • Thermoelectric power and resistivity are measured for the perovskite $LaNi_{1-x}Ti_xO_3$ ($x{\leq}0.5$) in the temperature range 77 K - 300 K. The measured thermoelectric power of $LaNi_{1-x}Ti_xO_3$ ($x{\leq}0.5$) increases linearly with temperature and is represented by A + BT. The x = 0.1 sample showed metallic behavior, the x = 0.3 showed metal and insulating transition around 150 K, and x = 0.5 showed insulating behavior the over the whole temperature range. The electrical resistivity of x = 0.1 shows linear temperature dependence over the whole temperature range and $T^2$ dependence. On the other hand, the electrical resistivity of x = 0.3 shows a linear relation between $ln{\rho}$ and $T^{-1/4}$ (variable range hopping mechanism) in the range of 77 K to 150 K. For x = 0.5, the temperature dependence of resistivity is characteristic of insulating materials; the resistivity data was fitted to an exponential law, such as ln(${\rho}/T$) and $T^{-1}$, which is usually attributed to a small polaron hopping mechanism. These experimental results are interpreted in terms of the spin polaron (x = 0.1) and variable range hopping (x = 0.3) or small polaron hopping (x = 0.5) of an almost localized $Ni^{3+}$ 3d polaron.

Electronic Structure and Chemical Bonding of La7Os4C9 (La7Os4C9의 전자구조와 화학결합)

  • Kang, Dae-Bok
    • Journal of the Korean Chemical Society
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    • v.53 no.3
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    • pp.266-271
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    • 2009
  • In the recently synthesized rare earth transition metal carbide $La_7O_{s4}C_9$ one finds one-dimensional organometallic $[O_{s4}C_9]^{21-}$ polymers embedded in a $La^{3+}$ ionic matrix. The electronic structure of the polymeric $[O_{s4}C_9]^{21-}$ chain was investigated by density of states (DOS) and crystal orbital overlap population (COOP), using the extended Huckel algorithm. A fragment molecular orbital analysis is used to study the bonding characteristics of the $C_2$ units in $La_7O_{s4}C_9$ containing $C_2$ units and single C atoms as well. The title compound contains partially filled Os and carbon bands leading to metallic conductivity. As the observed distances already indicated, the calculations show extensive Os-C interactions. The C-C bond distance in the diatomic $C_2$ units ($d_{C-C}$=131 pm) in the solid is significantly increased relative to $${C_2}^{2-}$$ or acetylene, because antibonding $1{\pi}_g$ orbitals are partially filled by the Os-$C_2(1\;{\pi}_g)$ bonding contribution found at and below the Fermi level.