• Title/Summary/Keyword: Lattice Reduction

Search Result 191, Processing Time 0.028 seconds

Structural and Magnetic Properties of (Mn, Cr)xCo1-xFe2O4 Thin Films Prepared by Sol-gel Method (졸-겔 방법을 이용하여 제작된 (Mn, Cr)xCo1-xFe2O4 박막의 구조적, 자기적 특성)

  • Kim, Kwang-Joo;Kim, Hee-Kyung;Park, Young-Ran;Park, Jae-Yun
    • Journal of the Korean Magnetics Society
    • /
    • v.16 no.1
    • /
    • pp.23-27
    • /
    • 2006
  • By substituting Mn or Cr for Co in inverse spinel $CoFe_2O_4,\;Mn_xCo_{1-x}Fe_2O_4\;and\;Cr_xCo_{1-x}Fe_2O_4$ and thin films were prepared by sol-gel method and their structural and magnetic properties were investigated. X-ray diffraction indicates that the cubic lattice constant increase for the Mn substitution while it hardly changes for the Cr substitution. Substitution of $Mn^{2+}$ for octahedral $Co^{2+}$ sites can explain the increase of lattice constant in $Mn_xCo_{1-x}Fe_2O_4$. On the other hand, Substitution of $Cr^{3+}$ for octahedral $Co^{2+}$ and subsequent reduction of $Fe^{3+}$ ion into $Fe^{2+}$ are expected to happen. Mossbauer spectroscopy measurements on $Cr_xCo_{1-x}Fe_2P_4$ indicate the existence of tetrahedral $Fe^{2+}$ ions that are created through reduction of tetrahedral $Fe^{3+}$ ions in order to compensate charge imbalance happened by $Cr^{3+}$ substitution for octahedral $Co^{2+}$ sites. On the other hand, no $Fe^{2+}$ ions were detected by Mossbauer spectroscopy for $Mn_xCo_{1-x}Fe_2O_4$. A migration of $Fe^{3+}$ ions from octahedral to tetrahedral sites In $Mn_xCo_{1-x}Fe_2O_4$ was detected by Mossbauer spectroscopy for x>0.47. Vibrating sample magnetometry measurements on the samples at room temperature revealed that the saturation magnetization increases by Mn and Cr substitution for certain range of x, qualitatively explainable in terms of the comparison of spin magnetic moment among the related transition-metal ions.

Fundamental Mechanisms of Platinum Catalyst for Oxygen Reduction Reaction in Fuel Cell: Density Functional Theory Approach (연료전지 산소환원반응 향상 위한 백금 촉매의 구조적 특성: 밀도범함수이론 연구)

  • Kang, Seok Ho;Lee, Chang-Mi;Lim, Dong-Hee
    • Journal of Korean Society of Environmental Engineers
    • /
    • v.38 no.5
    • /
    • pp.242-248
    • /
    • 2016
  • The overall reaction rate of fuel cell is governed by oxygen reduction reaction (ORR) in the cathode due to its slowest reaction compared to the oxidation of hydrogen in the anode. The ORR efficiency can be readily evaluated by examining the adsorption strength of atomic oxygen on the surface of catalysts (i.e., known as a descriptor) and the adsorption energy can be controlled by transforming the surface geometry of catalysts. In the current study, the effect of the surface geometry of catalysts (i.e., strain effect) on the adsorption strength of atomic oxygen on platinum catalysts was analyzed by using density functional theory (DFT). The optimized lattice constant of Pt ($3.977{\AA}$) was increased and decreased by 1% to apply tensile and compressive strain to the Pt surface. Then the oxygen adsorption strengths on the modified Pt surfaces were compared and the electron charge density of the O-adsorbed Pt surfaces was analyzed. As the interatomic distance increased, the oxygen adsorption strength became stronger and the d-band center of the Pt surface atoms was shifted toward the Fermi level, implying that anti-bonding orbitals were shifted to the conduction band from the valence band (i.e., the anti-bonding between O and Pt was less likely formed). Consequently, enhanced ORR efficiency may be expected if the surface Pt-Pt distance can be reduced by approximately 2~4% compared to the pure Pt owing to the moderately controlled oxygen binding strength for improved ORR.

Large eddy simulation on the turbulent mixing phenomena in 3×3 bare tight lattice rod bundle using spectral element method

  • Ju, Haoran;Wang, Mingjun;Wang, Yingjie;Zhao, Minfu;Tian, Wenxi;Liu, Tiancai;Su, G.H.;Qiu, Suizheng
    • Nuclear Engineering and Technology
    • /
    • v.52 no.9
    • /
    • pp.1945-1954
    • /
    • 2020
  • Subchannel code is one of the effective simulation tools for thermal-hydraulic analysis in nuclear reactor core. In order to reduce the computational cost and improve the calculation efficiency, empirical correlation of turbulent mixing coefficient is employed to calculate the lateral mixing velocity between adjacent subchannels. However, correlations utilized currently are often fitted from data achieved in central channel of fuel assembly, which would simply neglect the wall effects. In this paper, the CFD approach based on spectral element method is employed to predict turbulent mixing phenomena through gaps in 3 × 3 bare tight lattice rod bundle and investigate the flow pulsation through gaps in different positions. Re = 5000,10000,20500 and P/D = 1.03 and 1.06 have been covered in the simulation cases. With a well verified mesh, lateral velocities at gap center between corner channel and wall channel (W-Co), wall channel and wall channel (W-W), wall channel and center channel (W-C) as well as center channel and center channel (C-C) are collected and compared with each other. The obvious turbulent mixing distributions are presented in the different channels of rod bundle. The peak frequency values at W-Co channel could have about 40%-50% reduction comparing with the C-C channel value and the turbulent mixing coefficient β could decrease around 25%. corrections for β should be performed in subchannel code at wall channel and corner channel for a reasonable prediction result. A preliminary analysis on fluctuation at channel gap has also performed. Eddy cascade should be considered carefully in detailed analysis for fluctuating in rod bundle.

Comparison of growth and properties of GaN with various AlN buffer layers on Si (111) substrate (Si (111) 기판 위에 다양한 AIN 완충층을 이용한 GaN 성장과 특성 비교)

  • 신희연;이정욱;정성훈;유지범;양철웅
    • Journal of the Korean Vacuum Society
    • /
    • v.11 no.1
    • /
    • pp.50-58
    • /
    • 2002
  • The growth of GaN films on Si substrate has many advantages in that Si is less expensive than sapphire substrate and that integration of GaN-based devices with Si substrate is easier The difference of lattice constant and thermal expansion coefficient between GaN and Si is larger than those between GaN and sapphire. However, which results in many defects into the grown GaN. In order to obtain high duality GaN films on Si substrate, we need to reduce defects using the buffer layer such as AlN. In this study, we prepared three types of AlN buffer layer with various crystallinity on Si (111) substrate using MOCVD, Sputtering and MOMBE methods. GaN was grown by MOCVD on three types of AlN/Si substrate. Using TEM and XRD, we carried out comparative investigation of growth and properties of GaN deposited on the various AlN buffers by characterizing lattice coherency, crystallinity, growth orientation and defects formed (voids, stacking faults, dislocations, etc). It is found that the crystallinity of AlN buffer layer has strong effects on growth of GaN. The AlN buffer layers grown by MOCVD and MOMBE showed the reduction of out-of-plane misorientation of GaN at the initial growth stage.

Low-power Lattice Wave Digital Filter Design Using CPL (CPL을 이용한 저전력 격자 웨이브 디지털 필터의 설계)

  • 김대연;이영중;정진균;정항근
    • Journal of the Korean Institute of Telematics and Electronics D
    • /
    • v.35D no.10
    • /
    • pp.39-50
    • /
    • 1998
  • Wide-band sharp-transition filters are widely used in applications such as wireless CODEC design or medical systems. Since these filters suffer from large sensitivity and roundoff noise, large word-length is required for the VLSI implementation, which increases the hardware size and the power consumption of the chip. In this paper, a low-power implementation technique for digital filters with wide-band sharp-transition characteristics is proposed using CPL (Complementary Pass-Transistor Logic), LWDF (Lattice Wave Digital Filter) and a modified DIFIR (Decomposed & Interpolated FIR) algorithm. To reduce the short-circuit current component in CPL circuits due to threshold voltage reduction through the pass transistor, three different approaches can be used: cross-coupled PMOS latch, PMOS body biasing and weak PMOS latch. Of the three, the cross-coupled PMOS latch approach is the most realistic solution when the noise margin as well as the energy-delay product is considered. To optimize CPL transistor size with insight, the empirical formulas for the delay and energy consumption in the basic structure of CPL circuits were derived from the simulation results. In addition, the filter coefficients are encoded using CSD (Canonic Signed Digit) format and optimized by a coefficient quantization program. The hardware cost is minimized further by a modified DIFIR algorithm. Simulation result shows that the proposed method can achieve about 38% reductions in power consumption compared with the conventional method.

  • PDF

Physicochemical Properties of MnO2 Catalyst Prepared via Hydrothermal Process and its Application for CO Oxidation (수열방법으로 합성된 이산화망간의 물리화학적 특성과 일산화탄소 산화반응)

  • Lee, Young-Ho;Jeon, Su A;Park, Sang-Jun;Youn, Hyun Ki;Shin, Chae-Ho
    • Clean Technology
    • /
    • v.21 no.4
    • /
    • pp.248-256
    • /
    • 2015
  • MnO2 was prepared by a hydrothermal process method in the range of 120-200 ℃ and 0.5-5 h, calcined at 300 ℃ after induction of precipitation using KMnO4 and MnCl2・4H2O, and its catalytic activity was compared for CO oxidation. The catalysts were characterized using by X-ray diffraction, N2-sorption, scanning electron microscopy, and temperature programmed reduction of H2 or CO. The crystalline structure of pure α-MnO2 or hybrid α/β-MnO2 was controlled by the preparation conditions. The pure α-MnO2 showed better catalytic activity and thermal stability than hybrid α/β-MnO2. Especially, α-MnO2 prepared at 150 ℃ for 1 h has the highest specific surface area 214 m2 g-1, reducibility and labile lattice oxygen species analyzed by H2, CO-TPR, respectively. It also showed the best CO oxidation activity in both conditions of temperature programmed and isothermal reaction. The results came from the physicochemical properties of catalysts like the crystalline structure, specific surface area, reducibility and lattice oxygen species, and which are correlated with catalytic performance.

Effect of Pre-Treatment of Alpha-Ga2O3 Grown on Sapphire by Halide Vapor Phase Epitaxy (HVPE 방법으로 성장된 알파-갈륨 옥사이드의 전처리 공정에 따른 특성 변화)

  • Choi, Ye-ji;Son, Hoki;Ra, Yong-Ho;Lee, Young-Jin;Kim, Jin-Ho;Hwang, Jonghee;Kim, Sun Woog;Lim, Tae-Young;Jeon, Dae-Woo
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
    • /
    • v.32 no.5
    • /
    • pp.426-431
    • /
    • 2019
  • In this study, we report the effect of pre-treatment of alpha-$Ga_2O_3$ grown on a sapphire substrate by halide vapor phase epitaxy (HVPE). During the pre-treatment process, 10 sccm of GaCl gas was injected to the sapphire substrate at $470^{\circ}C$. The surface morphologies of the alpha-$Ga_2O_3$ layers grown with various pre-treatment time (3, 5, and 10 min) were flat and crack-free. The transmittance of the alpha-$Ga_2O_3$ epi-layers was measured to analyze their optical properties. The transmittance was over 80% within the range of visible light. The strain in the alpha-$Ga_2O_3$ grown with a pre-treat 5 min was measured, and was found to be close to the theoretical XRD peak position. This can be explained by the reduction of strain having caused a lattice mismatch between the alpha-$Ga_2O_3$ layer and sapphire substrate. The calculated dislocation density of the screw and edge were $2.5{\times}10^5cm^{-2}$ and $8.8{\times}10^9cm^{-2}$, respectively.

Synthesis of Pt-Bi/Carbon Electrodes by Reduction Method for Direct Methanol Fuel Cell (환원법에 의한 직접 메탄올 연료전지(DMFC)용 Pt-Bi/Carbon 전극제조)

  • Kim, Kwan Sung;Kim, Min Kyung;Noh, Dong Kyun;Tak, Yongsug;Baeck, Sung-Hyeon
    • Applied Chemistry for Engineering
    • /
    • v.22 no.5
    • /
    • pp.479-485
    • /
    • 2011
  • Pt-Bi/C catalysts supported on carbon black with various Pt/Bi ratios were synthesized by a reduction method. Chloroplatinic acid hydrate ($H_2PtCl_6{\cdot}xH_2O$) and bismuth (III) nitrate pentahydrate ($Bi(NO_3)_3{\cdot}5H_2O$) were used as precursors for Pt and Bi, respectively. Before loading metal on carbon, heat treatment and pretreatment of carbon black in an acidic solution was conducted to enhance the degree of dispersion. The physical property of the synthesized catalysts was investigated by X-ray diffraction and X-ray photoelectron spectroscopy. The XRD pattern of untreated Pt-Bi/C catalyst showed BiPt and $Bi_2Pt$ peaks in addition to Pt peaks. These results imply that Bi atoms were incorporated into the Pt crystal lattice by Pt-Bi alloy formation. The catalytic activity for methanol oxidation was measured using cyclic voltammetry in a mixture of 0.5 M $H_2SO_4$ and 0.5 M $CH_3OH$ aqueous solution. The addition of proper amount of Bi was found to significantly improve catalytic activity for methanol oxidation. The catalytic activity for methanol oxidation was closely related to the stability between electrode and electrolyte. In order to investigate the stability of catalysts, chronoamperometry analysis was carried out in the same solution at 0.6 V.

Oxygen Permeation Properties and Phase Stability of Co-Free $La_{0.6}Sr_{0.4}Ti_{0.2}Fe_{0.8}O_{3-{\delta}}$ Oxygen Membrane

  • Kim, Ki-Young;Park, Jung-Hoon;Kim, Jong-Pyo;Son, Sou-Hwan;Park, Sang-Do
    • Korean Membrane Journal
    • /
    • v.9 no.1
    • /
    • pp.34-42
    • /
    • 2007
  • A perovskite-type ($La_{0.6}Sr_{0.4}Ti_{0.2}Fe_{0.8}O_{3-{\delta}}$) dense ceramic membrane was prepared by polymerized complex method, using citric acid as a chelating agent and ethylene glycol as an organic stabilizer. Effect of Ti addition on lanthanum-strontium ferrite mixed conductor was investigated by evaluating the thermal expansion coefficient, the oxygen flux, the electrical conductivity, and the phase stability. The thermal expansion coefficient in air was $21.19\;{\times}\;10^{-6}/K$ at 473 to 1,223 K. At the oxygen partial pressure of 0.21 atm ($20%\;O_2$), the electrical conductivity increased with temperature and then decreased after 973 K. The decrement in electrical conductivity at high temperatures was explained by a loss of the lattice oxygen. The oxygen flux increased with temperature and was $0.17\;mL/cm^2{\cdot}min$ at 1,223 K. From the temperature-dependent oxygen flux data, the activation energy of oxygen ion conduction was calculated and was 80.5 kJ/mol at 1,073 to 1,223 K. Also, the Ti-added lanthanum-strontium ferrite mixed conductor was structurally and chemically stable after 450 hours long-term test at 1,173 K.

Effects of Crystallite Size on Gas Sensitivity and Surface Property of Oxide Semiconductor (산화물 반도체의 결정입도가 가스감도와 표면특성에 미치는 영향)

  • Song, Guk-Hyeon;Park, Sun-Ja
    • Korean Journal of Materials Research
    • /
    • v.3 no.4
    • /
    • pp.319-326
    • /
    • 1993
  • The effects of $SnO_2$ crystallite size on the powder characteristics, the resistance in air and the sensitivity to 0.5 vol % $H_2$, CO-air mixture were observed. The size of SnO, powder was controlled by calcining temperature variation ($500^{\circ}C$ ~$1100^{\circ}C$) of $\alpha$-stannic acid fabricated from $SnCl_4 \cdot xH_2O$. Its crystallite size. evaluated from TEM image, was in the range of 8-54nm. With the reduction of crystallite size, the adsoption peak of $H_2O$ on FTIR curve became more clear while the lattice parameters were invariable. As the crystallite size decreased, with elements of thick film, the temperatures showing a minimum resistance in air and a maximum sensitivity to H, gas reduced. The temperature variations were assigned to the changes of activation energy of the active adsorbates, and it was suggested that the decrease of activation energy can be one of the reasons for the' sensitivity increase with the' fine powder.

  • PDF