• 제목/요약/키워드: Transition Metal oxides

검색결과 100건 처리시간 0.024초

Electronic state calculation of ceramics by $DV-X\;{\alpha}$ cluster method

  • Adachi, Hirohiko
    • 한국재료학회:학술대회논문집
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    • 한국재료학회 1994년도 추계 학술발표 강연 및 논문 개요집
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    • pp.1-1
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    • 1994
  • ;The electronic state calculations for various types of ceramic materials have beell performed by the use of $DV-X\;{\alpha}$ cluster method. The molecular orbital levels and wave functions for model clusters have been computed to study the electronic properties ami chemical bonding of the ceramics. For ${\beta}-sialon(Si_{6-z}Al_zO_zN_{8-z})$ which is a high temperature structural material based on ${\beta}-Si_3N_4$, we have made model cluster calculations to estimate the strength of chemical bonding between atoms by the Mulliken population analysis. It is found that the covalent bonding between Si and N atoms is very strong in pure ${\beta}-Si_3N_4$, but the covalency around solute atom is considerably weakened when Si atom is substituted by AI. This tendency is enhanced by an additional substitution of oxygen atom for N. The result calculated can well explain the experimental data of changes in mechanical properties such as the reductions of Young's modulus and Vickers hardness with increment of z-value in ${\beta}-sialon$. Various model clusters for transition metal oxides which show many interesting physical and chemical properties have also been calculated. High-valent perovskite-type iron oxides EMFe0_3E(M=Ca and Sr) possess very interesting magnetic and chemical properties. In these oxides, iron exists as $Fe^{4+}$ state, but the experimental measurement of Mossba~er effect suggests that disproportionation $2Fe^{4+}=Fe^{3+}+Fe^{5+}$ takes place for $CaFe0_3$ at low temperatures. The model cluster calculations for these compounds indicated the existence of considerably strong covalent bonding of Fe-O. The calculations of hyperfine interaction at iron neucleus show very good agreement with the experimental Mossbauer measurements. The result calculated also implies that the disproportionation reaction is strongly possible by assuming the quenching of breathing phonon mode at low temperatures.tures.

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Effects of Transition Metal Oxides on Mechanical Properties of Y-TZP

  • Jae Sung Park;Young Soo Chung;Hyo-Duk Nam
    • The Korean Journal of Ceramics
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    • 제5권4호
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    • pp.331-335
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    • 1999
  • Mechanical propeties of $Y_2O_3$-containing tetragonal $ZrO_2$ polycrystals(Y-TZP) were investigated. Several additives were used to modify the hardness fracture toughness of Y-TZP. The effects of these individual additives were discussed and their interactions were also analyzed. Each additive, such as CoO, $Fe2O3, MnO_2$ was found to deteriorate the mechanical propeties of Y-TZP when it was used singly. But the fracture toughness of Y-TZP was singnificantly improved when these additives and $Al_2O_3$ were added in combination at a certain ratio.

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선택적 산화에 의한 코어-쉘 구조의 전이금속/산화물 나노 입자 제조 (Fabrication of Nano-sized Core-Shell Transition Metal/Oxides by Selective Oxidation)

  • 최우성;최승목
    • 한국표면공학회:학술대회논문집
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    • 한국표면공학회 2017년도 춘계학술대회 논문집
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    • pp.99.2-99.2
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    • 2017
  • 전이금속 산화물은 비교적 높은 용량 (700~1000 mAh/g)을 갖기 때문에 차세대 리튬전지용 음극으로서 많은 연구가 진행되어 왔다. 나노 코어-쉘 구조의 다공성 전이금속/전이금속 산화물 구조는 높은 비 표면적의 산화물과 높은 전기전도성을 가지는 금속 코어로 구성되어 고효율 리튬전지에 적용가능하다. 본 연구에서는 구리 소재 상에 나노코어구조의 구리/코발트 입자를 전기화학적으로 석출시킨 후 구리의 산화가 일어나지 않는 전해질/전위 조건에서 코발트만 선택적으로 산화시켜 코어-쉘 구조의 다공성 전이금속/전이금속 산화물 구조를 얻을 수 있었다. 제조된 나노 코어-쉘 구조의 다공성 전이금속/전이금속 산화물 입자를 리튬전지의 음극으로 사용하여 매우 우수한 충/방전 안정성을 나타냄을 확인할 수 있었다.

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Cobalt Oxide Nanorods Prepared by a Template-Free Method for Lithium Battery Application

  • Kim, Seong-Jun;Kim, Eun-Ji;Liu, Meilin;Shin, Heon-Cheol
    • Journal of Electrochemical Science and Technology
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    • 제7권3호
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    • pp.206-213
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    • 2016
  • Transition metal oxide-based electrodes for lithium ion batteries have recently attracted much attention because of their high theoretical capacity. Here we report the electrochemical behavior of cobalt oxide nanorods as anodes, prepared by a template-free, one-step electrochemical deposition of cobalt nanorods, followed by an oxidation process. The as-deposited cobalt has a slightly convex columnar structure, and controlled thermal oxidation produces cobalt oxides of different Co/O ratios, while the original shape is largely preserved. As an anode in a rechargeable lithium battery, the Co/O ratio has a strong effect on initial capacity and cycling stability. In particular, the one-dimensional Co@CoxOy core shell structure obtained from a mild heat-treatment results in superior cycling stability.

$^7Li$ NMR studies of LiMn$_2$O$_4$ prepared by eutectic self-mixing method without any mixing

  • Lee, Youngil;Kyooseung Han;Hyunkoo Kang;Jaebum Choo
    • 한국자기공명학회:학술대회논문집
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    • 한국자기공명학회 2002년도 International Symposium on Magnetic Resonance
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    • pp.85-85
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    • 2002
  • Lithiated transition metal oxides such as LiMn2O4, Lil-xMnO$_2$, LiNiO$_2$, LiCoO$_2$, and their solid solution phases are used as cathode materials for lithium rechargeable batteries. We prepared the cathode materials using a novel eutectic self-mixing method without any artificial mixing procedures. This method provides an extraordinarily simple way to make the cathode materials, and it is possible to prepare at very low temperature such as 25$0^{\circ}C$. Furthermore, the cathode materials produced have discharge capacities that are much better than cathode materials prepared by previously reported synthetic methods. The spontaneous and homogeneous mixing is verified by $^{7}$ Li magic-angle-spinning (MAS) NMR spectroscopy.

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Stoichiometry, Thermal Stability and Reducibility of Perovskite-Type Mixed Oxide LaBO$_3$ (B = Fe, Co, Ni)

  • Park, Il-Hyun;Lee, Hyung-Pyo
    • Bulletin of the Korean Chemical Society
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    • 제9권5호
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    • pp.283-288
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    • 1988
  • The titled properties on reduction of the perovskite $LaBO_3$ (B = Fe, Co, Ni) have been investigated by means of temperature-programmed reduction, isothermal reduction and X-ray diffraction methods. Nominal composition of $LaFeO_{3.18},\;LaCoO_{3.00}\;and\;LaNiO_{2.92}$ are determined. Reduction reaction of these mixed oxides differed according to B-site transition metal and thermal stability on reduction decreased as following order: $LaFeO_{3.18}$ > $LaCoO_{3.00}$ > $LaNiO_{2.92}$. From the results of isothermal reaction, kinetics on reduction of the perovskite has been discussed in detail.

수은 연속측정시스템에서 전이금속에 의한 산화수은의 원소수은으로의 촉매환원 (Catalytic Reduction of Oxidized Mercury to Elemental Form by Transition Metals for Hg CEMS)

  • 함성원
    • 청정기술
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    • 제20권3호
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    • pp.269-276
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    • 2014
  • 본 연구는 수은연속측정시스템의 가장 중요한 구성 요소의 하나인 산화수은을 원소수은으로 환원시킬 수 있는 건식 환원촉매시스템 개발을 목적으로 수행되었다. 산화-환원 표준전위를 기준으로 산화수은의 원소수은으로의 환원반응을 자발적으로 일으킬 수 있는 촉매 대상물질로 Fe, Cu, Ni 및 Co 4종류의 전이금속이 선택되었다. 이들 전이금속 촉매들은 산소가 없는 반응가스 조성에서 산화수은의 원소수은으로의 환원반응에 대해 높은 활성을 보였다. 그러나 산소가 존재하는 경우 환원 활성이 크게 감소하는데 이는 산소에 의해 해당 전이금속이 산화수은 환원 활성이 낮은 전이금속산화물로 변환되기 때문이다. 반응가스에 산소가 존재하여도 수소를 공급하면 산화수은 환원 활성이 크게 증가되는데 이는 산화수은의 환원반응이 진행되는 고온에서 산소와 수소 사이의 연소반응에 의해 산소가 소모되기 때문으로 확인되었다. Fe를 환원촉매로 하고 배기가스에 수소를 공급하는 산화수은 환원촉매시스템은 $SnCl_2$ 수용액을 사용하는 습식화학 환원기술에 필적할 수준의 활성을 나타내기 때문에 상업적으로 적용 가능한 산화수은 환원시스템으로 기대된다.

수열합성법으로 제조된 나노막대 구조 WO3의 광촉매 효과 및 염료 흡착 반응 (Photocatalytic and Adsorption Properties of WO3 Nanorods Prepared by Hydrothermal Synthesis)

  • 유수열;남충희
    • 한국분말재료학회지
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    • 제24권6호
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    • pp.483-488
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    • 2017
  • Transition-metal oxide semiconductors have various band gaps. Therefore, many studies have been conducted in various application fields. Among these, methods for the adsorption of organic dyes and utilization of photocatalytic properties have been developed using various metal oxides. In this study, the adsorption and photocatalytic effects of $WO_3$ nanomaterials prepared by hydrothermal synthesis are investigated, with citric acid added in the hydrothermal process as a structure-directing agent. The nanostructures of $WO_3$ are studied using transmission electron microscopy and scanning electron microscopy images. The crystal structure is investigated using X-ray diffraction patterns, and the changes in the dye concentrations adsorbed on $WO_3$ nanorods are measured with a UV-visible absorption spectrophotometer based on Beer-Lambert's law. The methylene blue (MB) dye solution is subjected to acid or base conditions to monitor the change in the maximum adsorption amount in relation to the pH. The maximum adsorption capacity is observed at pH 3. In addition to the dye adsorption, UV irradiation is carried out to investigate the decomposition of the MB dye as a result of photocatalytic effects. Significant photocatalytic properties are observed and compared with the adsorption effects for dye removal.

Amorphous Citrate Precursor 법으로 제조한 La0.6Ca0.4CoO3와 Pb2Ru2O6의 전기화학적 촉매능 (Electrocatalytic Performances of La0.6Ca0.4CoO3 and Pb2Ru2O6 prepared by Amorphous Citrate Precursor Method)

  • 이철경;손헌준
    • 공업화학
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    • 제10권3호
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    • pp.331-335
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    • 1999
  • 진이급속 산화물은 전기화학적 산소 발생/환원에 대한 bifunctional 촉매효과가 있어 금속-공기 이차전지와 같은 에너지 저장기술 개발에 연구대상이 되어왔다. Amorphous citrate precursor법을 이용하여 perovskite 구조를 갖는 La-Ca-Co 산화물과 pyrochlore 구조를 갖는 Pb-Ru 산화물을 제조하고, 이후 열처리법으로 표면적이 큰 전이금속 산화물 촉매분말을 제조하였다. PTFE 결합 기체확산형 전극의 충방전 실험을 통하여 전기화학적 산소발생/환원에 대한 좋은 촉매능을 가짐을 확인하였고, ${\pm}25mA/cm^2$의 전류밀도를 가하고 공기를 공급하면서 충방전 실험한 결과 100시간 이내에서 두촉매분말 모두 안정하였다. ACP법으로 제조한 perovskite 구조의 La0.6Ca0.4CoO3과 pyrochlore 구조의 Pb2Ru2O6가 이차전지용 공기전극 재료로 사용할 수 있음을 확인하였다.

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Hole Selective Contacts: A Brief Overview

  • Sanyal, Simpy;Dutta, Subhajit;Ju, Minkyu;Mallem, Kumar;Panchanan, Swagata;Cho, Eun-chel;Cho, Young Hyun;Yi, Junsin
    • Current Photovoltaic Research
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    • 제7권1호
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    • pp.9-14
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    • 2019
  • Carrier selective solar cell structure has allured curiosity of photovoltaic researchers due to the use of wide band gap transition metal oxide (TMO). Distinctive p/n-type character, broad range of work functions (2 to 7 eV) and risk free fabrication of TMO has evolved new concept of heterojunction intrinsic thin layer (HIT) solar cell employing carrier selective layers such as $MoO_x$, $WO_x$, $V_2O_5$ and $TiO_2$ replacing the doped a-Si layers on either front side or back side. The p/n-doped hydrogenated amorphous silicon (a-Si:H) layers are deposited by Plasma-Enhanced Chemical Vapor Deposition (PECVD), which includes the flammable and toxic boron/phosphorous gas precursors. Due to this, carrier selective TMO is gaining popularity as analternative risk-free material in place of conventional a-Si:H. In this work hole selective materials such as $MoO_x$, $WO_x$ and $V_2O_5$has been investigated. Recently $MoO_x$, $WO_x$ & $V_2O_5$ hetero-structures showed conversion efficiency of 22.5%, 12.6% & 15.7% respectively at temperature below $200^{\circ}C$. In this work a concise review on few important aspects of the hole selective material solar cell such as historical developments, device structure, fabrication, factors effecting cell performance and dependency on temperature has been reported.