• Title/Summary/Keyword: A-site vacancy

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Nitrogen-doped Nickel Oxide Catalysts for Oxygen-Evolution Reactions (알칼라인 조건에서의 산소발생반응을 위한 N-doped NiO 촉매)

  • Lee, Jin Goo;Jeon, Ok Sung;Shul, Yong Gun
    • Korean Chemical Engineering Research
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    • v.57 no.5
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    • pp.701-705
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    • 2019
  • Oxygen-evolution reaction (OER) in alkaline media has been considered as a key process for various energy applications. Many types of catalysts have been developed to reduce high overpotential in OER, such as metal alloys, metal oxides, perovskite, or spinel. Nickel oxide (NiO) has high potential to increase OER activity according to volcano plots. The exact mechanisms for OER has not been discovered, but defects such as cation or anion vacancy typically act as an active site for diverse electrochemical reactions. In this study, nitrogen was doped into NiO by using ethylenediamine for formation of Ni vacancy, and the effects of N doping on OER activity and stability was studied.

Effects of A-site Vacancies on the Piezoelectric Properties of 0.97Bi0.5+x(Na0.78K0.22)0.5-3xTiO3-0.03LaFeO3 Lead-free Piezoelectric Ceramics (A-site Vacancy가 0.97Bi0.5+x(Na0.78K0.22)0.5-3xTiO3-0.03LaFeO3 무연압전 세라믹스의 압전특성에 미치는 영향)

  • Park, Jung Soo;Lee, Ku Tak;Cho, Jeong Ho;Jeong, Young Hun;Paik, Jong Hoo;Yun, Ji Sun
    • Journal of the Korean Ceramic Society
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    • v.51 no.6
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    • pp.527-532
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    • 2014
  • $0.97Bi_{0.5+x}(Na_{0.78}K_{0.22})_{0.5-3x}TiO_3-0.03LaFeO_3$ lead-free piezoelectric ceramics were fabricated by a solid state reaction method. $LaFeO_3$ additives were added to $Bi_{0.5}(Na_{0.78}K_{0.22})_{0.5}TiO_3$ for volatile compensation of bismuth and sodium ions in the sintering process. To create A-site vacancies, the mole ratio and charge valence of A-site ions ($Bi^{3+}$, $Na^+$ and $K^+$) were controlled. The improved piezoelectric properties were observed by addition of $LaFeO_3$ and control of A-site vacancies. In particular, a $d_{33}^*(S_{max}/E_{max})$ value of 614pm/V and an electric field induced strain of 0.33% was observed in $0.97Bi_{0.505}(Na_{0.78}K_{0.22})_{0.485}TiO_3-0.03LaFeO_3$ ceramic.

Electronic Structure of the SrTiO3(001) Surfaces: Effects of the Oxygen Vacancy and Hydrogen Adsorption

  • Takeyasua, K.;Fukadaa, K.;Oguraa, S.;Matsumotob, M.;Fukutania, K.
    • Applied Science and Convergence Technology
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    • v.23 no.5
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    • pp.201-210
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    • 2014
  • The influence of electron irradiation and hydrogen adsorption on the electronic structure of the $SrTiO_3$ (001) surface was investigated by ultraviolet photoemission spectroscopy (UPS). Upon electron irradiation of the surface, UPS revealed an electronic state within the band gap (in-gap state: IGS) with the surface kept at $1{\times}1$. This is considered to originate from oxygen vacancies at the topmost surface formed by electron-stimulated desorption of oxygen. Electron irradiation also caused a downward shift of the valence band maximum indicating downward band-bending and formation of a conductive layer on the surface. With oxygen dosage on the electron-irradiated surface, on the other hand, the IGS intensity was decreased along with upward band-bending, which points to disappearance of the conductive layer. The results indicate that electron irradiation and oxygen dosage allow us to control the surface electronic structure between semiconducting (nearly-vacancy free: NVF) and metallic (oxygen de cient: OD) regimes by changing the density of the oxygen vacancy. When the NVF surface was exposed to atomic hydrogen, in-gap states were induced along with downward band bending. The hydrogen saturation coverage was evaluated to be $3.1{\pm}0.8{\times}10^{14}cm^{-2}$ with nuclear reaction analysis. From the IGS intensity and H coverage, we argue that H is positively charged as $H^{{\sim}0:3+}$ on the NVF surface. On the OD surface, on the other hand, the IGS intensity due to oxygen vacancies was found to decrease to half the initial value with molecular hydrogen dosage. H is expected to be negatively charged as $H^-$ on the OD surface by occupying the oxygen vacancy site.

A Study on Store Space Supply in Apartment Sites (아파트단지 내의 상가공급 재고에 관한 연구)

  • 김한수
    • Journal of the Korean housing association
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    • v.11 no.4
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    • pp.53-63
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    • 2000
  • The study focuses on the problems of store space supply in apartment sites and suggests policy directions for the problem. Based on the results of field survey and site reconnaissance, this study identifies following problems and policy directions. First, the stores do not meet consumers various demand due to item limitations with small size. Consequently, there are many closed and/or unsold stores with high vacancy rates, Second, there is a tendency that the closed store rate becomes higher as apartment size becomes smaller. We suggest some law and regulation amendment that make store supply optional rather than mandatory in the case of small apartment site construction.

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Characterization of PSCF3737 for intermediate temperature solid oxide fuel cell (IT-SOFC) (중.저온형 고체 산화물 연료전지의 공기극으로 사용되는 PSCF3737 물질의 특성에 관한 연구)

  • Park, Kwang-Jin;Bae, Joong-Myeon
    • 한국신재생에너지학회:학술대회논문집
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    • 2008.05a
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    • pp.61-64
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    • 2008
  • $Pr_{0.3}Sr_{0.7}Co_{0.3}Fe_{0.7}O_{3-\delta}$ (PSCF3737) was prepared and characterized as a cathode material for intermediate temperature-operating solid oxide fuel cell (IT-SOFC). X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure (EXAFS), and electrical property measurement were carried out to study cathode performance of the material. XPS and EXAFS results proved that oxygen vacancy concentration was decreased and lattice constants of the perovskite structure material were increased by doping Fe up to 70 mol% at B-site of the crystal structure, which also extended the distance between oxygen and neighbor atoms. Thermal expansion coefficient (TEC) of PSCF3737 is smaller than that of $Pr_{0.3}Sr_{0.7}CoO_{3-\delta}$(PSC37) due to lower oxygen vacancy concentration. PSCF3737 showed better cathode performance than PSC37. It might be due good adhesion by a smaller difference of TEC between $Gd_{0.1}Ce_{0.9}O_2$ (CGO91) and electrode. Composite material PSCF3737-CGO91 showed better compatibility of TEC than PSCF3737. However, PSCF3737-CGO91 did not represent higher electrochemical property than PSCF3737 due to decreased reaction sites by CGO91.

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Dielectric and conductivity properties of defect double Perovskite La1/3TaO3 single crystal (결함 이중 Perovskite La1/3TaO3 단결정의 유전 및 전도특성)

  • Sohn, Jeong-Ho
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.30 no.6
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    • pp.215-219
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    • 2020
  • After the specimen of A-site defect double Perovskite La1/3TaO3 single crystal was manufactured, the dielectric properties have been studied between the temperature range of 10 and 800 K. Under 500 K, a paraelectric behavior has been shown, and above 550 K, a dielectric anomaly and a thermal history of dielectric constant has been shown. An activation energy by measurement of ac-conductivity has been the largest with 1.83 eV in the areas below 560 K, 0.35 eV in the areas of 560~690 K, and 0.28 eV in the areas of high temperature above 690 K. From these results, it is assumed that in the areas below 500 K, La3+-ion and vacancy-site are arranged in disorder to maintain a paraelectric phase. And in the areas near 560 K with the highest activation energy, a dielectric anomaly is attributes to rearrangement of La3+-ion due to conduction to vacancy-site or jumping.

Radiation induced grain boundary segregation in ferritic/martensitic steels

  • Xia, L.D.;Ji, Y.Z.;Liu, W.B.;Chen, H.;Yang, Z.G.;Zhang, C.;Chen, L.Q.
    • Nuclear Engineering and Technology
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    • v.52 no.1
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    • pp.148-154
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    • 2020
  • The radiation induced segregation of Cr at grain boundaries (GBs) in Ferritic/Martensitic steels was modeled assuming vacancy and interstitialcy diffusion mechanisms. In particular, the dependence of segregation on temperature and grain boundary misorientation angle was analyzed. It is found that Cr enriches at grain boundaries at low temperatures primarily through the interstitialcy mechanism while depletes at high temperatures predominantly through the vacancy mechanism. There is a crossover from Cr enrichment to depletion at an intermediate temperature where the Cr:Fe vacancy and interstitialcy diffusion coefficient ratios intersect. The bell-shape Cr enrichment response is attributed to the decreasing void sinks inside the grains as temperature rises. It is also shown that low angle grain boundaries (LAGBs) and special Σ coincidence-site lattice (CSL) grain boundaries exhibit suppressed radiation induced segregation (RIS) response while high angle grain boundaries (HAGBs) have high RIS segregation. This different behavior is attributed to the variations in dislocation density at different grain boundaries.

Structural study of oxygen vacancy in CaO stabilized cubic-$HfO_2$ using density functional theory (Density Functional Theory를 이용한 CaO 안정화 Cubic-$HfO_2$의 산소 공공 구조연구)

  • Kim, Jong-Hoon;Kim, Dae-Hee;Lee, Byeong-Eon;Kim, Yeong-Cheol
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.11a
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    • pp.293-294
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    • 2008
  • CaO stabilized cubic-$HfO_2$ is studied by using Density Functional Theory with GGA. When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality condition. When the oxygen vacancy is located at the first nearest site from the Ca atom, the total energy of $HfO_2$ is the most favorable. We calculate the energy barriers for the oxygen vacancy migration. 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, 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites from the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in $HfO_2$ gate dielectricis is 0.24eV, which can explain a leakage origin of gate dielectric.

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Effect on N Defect in Cu-doped III-nitride Semiconductors

  • Kang, Byung-Sub;Lee, Jae-Kwang;Lim, Yong-Sik;Song, Kie-Moon;Chae, Kwang-Pyo
    • Journal of Magnetics
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    • v.16 no.4
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    • pp.332-336
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    • 2011
  • We studied the effect on the electronic and magnetic properties of the N defect in clean and Cu-doped wurtzite III-nitrides by using the first-principles calculations. When it is doped two Cu atoms in the nearest neighboring sites, the system of AlN, GaN, or InN with the N vacancy is energetically more favorable than that without the N vacancy site. When the Cu concentration increases, the total magnetic moment of a supercell becomes small. The ferromagnetism of Cu atom is very low due to the weak 3d-3d coupling. It is noticeable that the spin-exchange interaction between the Cu-3d and N defect states is important.

A Survey of Residential District Decay of A New Development Area - In the case of Dunsan of Daejeon City - (신개발지 일반주거지역의 용도쇠퇴 현황 및 특성에 관한 연구 - 대전 둔산 신시가지를 중심으로 -)

  • Lee, Seung-Mi;Kang, In-Ho
    • Journal of the Korean housing association
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    • v.20 no.2
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    • pp.109-118
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    • 2009
  • In general, the decay of the residential district has been considered a phenomenon of old towns. But now it has become a problem of new development areas too, which have been a cause of the decay of old town. This study aims to investigate the decay of the residential district in the new development area. The survey site was Dunsan, a town-intown of Daejeon metropolitan city. The findings were as follows (:) 1) even in the new development area, a high level of vacancy ratio was evident. ; 2) among the buildings above ground, 1st floor showed the highest vacancy ratio, which means the 1st floor was allotted to too many commercial facilities relative to the buying power size in this district. ; 3) there were many conversions in response to the decay of the district, from residential to commercial, and commercial to residential. ; and 4) the allocation of each type of conversion showed a spatial pattern.