• 제목/요약/키워드: lattice oxygen

검색결과 223건 처리시간 0.032초

고체 산화물 연료전지 공기극 물질인 $(Pr_{1-x}Sr_{x})CoO_{3}$ (x=0.5 및 0.7)의 표면분석 (Surface analysis of $(Pr_{1-x}Sr_{x})CoO_{3}$ (x=0.5 and 0.7) as a cathode material for Solid Oxide Fuel Cell)

  • 김정현;이창보;백승욱;박광진;배중면
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2007년도 춘계학술대회
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    • pp.196-199
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    • 2007
  • The chemical states of oxygen on the surfaces of $Pr_{1-x}Sr_{x}CoO_{3}$ (x=0.5 and 0.7) oxide systems were investigated by X-ray photoelectron spectroscopy. Merged oxygen peaks of $Pr_{1-x}Sr_{x}CoO_{3}$ (x=0.5 and 0.7) oxides could be divided as five sub-peaks. These five sub-peaks could be defined as lattice oxygen ($O_{L}$). chemisorbed oxygen peaks ($O_{C}$) and hydroxyl condition oxygen peak ($O_{H}$). In case of the $Pr_{0.5}Sr_{0.5}CoO_{3}$ and $Pr_{0.3}Sr_{0.7}CoO_{3}$, the binding energy (BE) of oxygen lattice were located at same BE. However, the BE of chemisorbed oxygen peaks including oxygen vacancy shows different BE. Especially, it was found that BE of chemisorbed oxygen peaks was increased when more Sr were substituted. Comparing atomic percentages of oxygens of $Pr_{0.5}Sr_{0.5}CoO_{3}$ and $Pr_{0.3}Sr_{0.7}CoO_{3}$, the ratio of $Pr_{0.3}Sr_{0.7}CoO_{3}$ was higher than that of $Pr_{0.5}Sr_{0.5}CoO_{3}$. It showed more chemically adsorbed site including oxygen vacancies were existed in $Pr_{0.3}Sr_{0.7}CoO_{3}$.

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복합산화물 촉매 상에서 메탄의 부분산화에 의한 메탄올 및 포름알데히드의 합성 (Synthesis of Methanol and Formaldehyde by Partial Oxidation of Methane over Mixed Oxide Catalysts)

  • 함현식;신기석;안성환;김송형;홍석영;박홍수
    • 한국응용과학기술학회지
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    • 제23권3호
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    • pp.223-229
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    • 2006
  • Methanol and formaldehyde were produced directly by the partial oxidation of methane over mixed oxide catalysts. The catalysts were composed of Mo and Bi with late-transition metals, such as Mn, Fe, and Co. The reaction was carried out at $450^{\circ}C$, 50 bar in a fixed-bed differential reactor. The prepared catalysts were characterized by $O_2-TPD$ and BET apparatus. Among the catalysts used, the catalyst composed of 1:1:2.5 molar ratio of Mo:Bi:Mn showed the best methane conversion and methanol selectivity. The change in ratio of methane to oxygen affected at the conversion and selectivity, and the most proper ratio was 10:1.5. Methane conversion, methanol and formaldehyde selectivities increased with the surface areas of the catalysts. From the $O_2-TPD$ result, it was found that the oxygen species responsible for this reaction might be the lattice oxygen species desorbed at high temperature around $800^{\circ}C$.

Sm이 첨가된 티탄산바륨의 PTCR 특성에 대한 환원-재산화의 영향 (Effect of Reduction-Reoxidation Firing on PTCR Properties of Sm-doped Barium Titanate Ceramics)

  • 전명표;명성재;한익현
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2005년도 추계학술대회 논문집 Vol.18
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    • pp.35-38
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    • 2005
  • The effect of reduction and re-oxidation firing on the PTCR properties of Sm-doped Barium Titanate ceramics was investigated for the application of multilayered PTC thermistor. The lattice parameter a, c decreases monotonically with increasing oxygen concentration in the reoxidation atmosphere, which seems to be related with the electrostatic Coulomb interaction between oxygen vancancy and nearest other atoms. With increasing oxygen concentration, the resistivity at room temperature and the magnitude of resistivity jump as a function of temperature increased in the region of oxygen concentration of 0 $\sim$ 10%. However, the resistivity at room temperature and the magnitude of resistivity jump is nearly constant and saturated in the region of oxygen concentration of 10 $\sim$ 20%. These phenomena is considered to be related with the variation of oxygen and barium-vancany concentration near the grain boundary.

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Estimation of the Effect of Grain Boundary Diffusion on Microstructure Development in Magnetite Bi-crystal under Oxygen Chemical Potential Gradient at 823 K

  • Ueda, Mitsutoshi;Maruyama, Toshio
    • 한국세라믹학회지
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    • 제49권1호
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    • pp.37-42
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    • 2012
  • Mass transport near grain boundary in a magnetite bi-crystal has been estimated at 823 K by finite element method. Mass transport near grain boundary strongly depends on the diffusivities along grain boundary. If grain boundary diffusion has the same oxygen activity dependence as lattice diffusion, there is no mass transport between grains and grain boundary. On the other hand, mass transport between grains and grain boundary is observed in the case that grain boundary diffusion has different oxygen activity dependence.

Bi계 산화물 초전도체 2212상에 있어서 Bi 자리에 Ge 치환에 따른 초전도 특성 (Superconducting Properties of Ge Substitution for the Bi Site in the 2212 Phase of Bi-Sr-Ca-Cu-O Superconductors)

  • 신재수;이민수;최봉수;송승용;송기영
    • 한국세라믹학회지
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    • 제37권8호
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    • pp.787-791
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    • 2000
  • Samples with the nominal composition, Bi2-xGexSr2CaCu2O8+$\delta$ (x=0, 0.1, 0.2, 0.3, 0.4, 0.5) were prepared by the solid-state reaction method. We have studied the effect of substitution Ge for Bi and investigated the superconducting properties by changing oxygen content with Ge substitution. It was found that temperature difference, ΔK, between TCon and TCzero was considerably smaller in the samples prepared by the intermediate pressing method than that in the samples by the solid-state reaction method. We found the solubility limit of Ge to the 80 K single phase was around x=0.3. Within the solubility limit, lattice constant c decreased with the increase of x. In the region of the 80K single phase, the onset critical temperature TCon increased and excess oxygen content decreased with increase of x.

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Comparison of Removal Efficiency of Mn-loaded Natural Zeolites and Red Mud for the Catalytic Ozonation of 2-Butanone

  • Park, Youna;Lee, Jung Eun;Park, Young-Kwon
    • 공업화학
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    • 제33권3호
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    • pp.328-334
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    • 2022
  • For the study of environmental application of natural zeolites (NZ) and red mud (RM), which are discharged from various industrial fields, the catalytic ozonation of 2-butaone (methyl ethyl ketone, MEK) was performed using the Mn-loaded NZ prepared according to the Mn content of 1, 3, 5, 7, and 10 wt%. By the addition of Mn to NZ, the BET (Brunaure-Emmett-Teller) specific surface area of Mn/NZ catalysts decreased while the ratio of Mn3+/[Mn3++Mn4+] intensively increased. Besides, the addition of Mn component to NZ increased the ratio of adsorbed oxygen (Oadsorbed) toward lattice oxygen (Olattice), Oadsorbed/Olattice from 0.076 of NZ to 0.465 of 10 wt% Mn/NZ according to the amount of Mn. It is known that the proportion of two species, Mn3+ and Oadsorbed, would greatly affect the catalytic activity. However, the balancing between the paired species, Mn3+ vs. Mn4+ and Oadsorbed vs. Olattice might be more essential for the catalytic ozonation of MEK at room temperature. Among the Mn-loaded NZ catalysts, the 3 wt% Mn/NZ showed the best activity for the removal of MEK and ozone. The 5, 7, and 10 wt% Mn/NZ catalysts are slightly inferior to the 3 wt% Mn/NZ. Compared to the pristine NZ, the Mn/NZ catalysts showed better activity for the catalytic ozonation of MEK. In addition, the 3 wt% Mn/NZ was confirmed to have the most available acid sites among them by the analysis of NH3-TPD (temperature programmed desorption). This might be the major reason for the best catalytic activity of 3 wt% Mn/NZ together with the adjusted distribution ratios of Mn3+/Mn4+ and Oadsorbed/Olattice. Considering the result of 3 wt% Mn/NZ, the 3 wt% Mn/RM was prepared to perform the catalytic activity for the removal of MEK and ozone, but the efficiency of 3 wt% Mn/RM was significantly lower than that of the 3 wt% Mn/NZ.

Density Functional Theory를 이용한 CaO 안정화 Cubic-HfO2의 산소 공공 구조 연구 (Structural Study of Oxygen Vacancy in CaO Stabilized Cubic-HfO2 Using Density Functional Theory)

  • 김종훈;김대희;이병언;황진하;김영철
    • 한국재료학회지
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    • 제18권12호
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    • pp.673-677
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    • 2008
  • Calcia (CaO) stabilized cubic-$HfO_2$ is studied by density functional theory (DFT) with generalized gradient approximation (GGA). When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality. The lattice parameter of a $2{\times}2{\times}2$ cubic $HfO_2$ supercell then increases by $0.02\;{\AA}$. The oxygen atoms closest to the oxygen vacancy are attracted to the vacancy as the vacancy is positive compared to the oxygen ion. When the oxygen vacancy is located at the site closest to the Ca atom, the total energy of $HfO_2$ reaches its minimum. The energy barriers for the migration of the oxygen vacancy were calculated. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, and 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites relative to the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in the $HfO_2$ gate dielectric is 0.24 eV, which can explain the origin of gate dielectric leakage.

$OH^-$ 흡수밴드에 의한 $LiNbO_3$ 단결정의 격자결함에 관한 연구 (A study on the lattice defects in $LiNbO_3$ single crystal by crystal by $OH^-$ absorption band)

  • 조용석;강길영;윤종규
    • 한국결정성장학회지
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    • 제8권3호
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    • pp.401-406
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    • 1998
  • LiNbO_3$ 단결정의 광학소자 광도파관 등의 응용을 위하여는 빛의 조사에 따라 굴절률이 변하는 광손상을 극복하여야 한다. 이러한 광손상 극복은 LiNbO_3$ 에 MgO를 첨가한 단결정의 성장과 산처리를 통하여 가능하다. 본 연구에서는 LiNbO_3$ 의 광손상 극복 기구를 이해하기 위하여, FT-IR을 이용하여 LiNbO_3$ 단결정에 MgO 첨가와 산처리가 발생시키는 격자결함의 변화를 OH- 흡수밴드를 통하여 간접적으로 관찰하였다. 또한 액체 헬륨을 이용한 온도강하시 생기는 격자결함의 관찰과 산처리한 시편의 광택연마와 열처리에 따른 격자결함으 조사하였다. MgO 첨가는 LiNbO_3$ 격자내 $Mg_{Nb}^{2+}$ 결함을 발생시켜 광손상 저항을 증가시키며, 산처리는 결정표면의 산소층에 $H^+$이온이 침입하여 격자결함을 발생시키며, 이 격자결함은 $400^{\circ}C$이상에서 열처리하면 $H^+$가 결정내부로 확산하여 들어감을 확인하였다.

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Photoluminescence of ZnGa2O4-xMx:Mn2+ (M=S, Se) Thin Films

  • Yi, Soung-Soo
    • Transactions on Electrical and Electronic Materials
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    • 제4권6호
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    • pp.13-16
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    • 2003
  • Mn-doped $ZnGa_{2}O_{4}$:$Mn^{2+}$ (M=S, Se) thin film phosphors have been grown using a pulsed laser deposition technique under various growth conditions. The structural characterization carr~ed out on a series of $ZnGa_{2}O_{4}$:$Mn^{2+}$ (M=S, Se) films grown on MgO(l00) substrates usmg Zn-rich ceramic targets. Oxygen pressure was varied from 50 to 200 mTorr and Zn/Ga ratio was the function of oxygen pressure. XRD patterns showed that the lattice constants of the $ZnGa_{2}O_{4}$:$Mn^{2+}$ (M=S, Se) thin film decrease with the substitution of sulfur and selenium for the oxygen in the $ZnGa_2O_4$. Measurements of photoluminescence (PL) properties of $ZnGa_{2}O_{4}$:$Mn^{2+}$ (M=S, Se) thin films have indicated that MgO(100) is one of the most promised substrates for the growth of high quality $ZnGa_2O_{4-x}M_{x}$:$Mn^{2+}$ (M=S, Se) thin films. In particular, the incorporation of Sulfur or Selenium into $ZnGa_2O_4$ lattice could induce a remarkable increase in the intensity of PL. The increasing of green emission intensity was observed with $ZnGa_2O_{3.925}Se_{0.075}:$Mn^{2+}$ and $ZnGa_2O_{3.925}S_{0.05}$:$Mn^{2+}$ films, whose brightness was increased by a factor of 3.1 and 1.4 in comparison with that of $ZnGa_{2}O_{4}$:$Mn^{2+}$ films, respectively. These phosphors may promise for application to the flat panel displays.