• Title/Summary/Keyword: Oxygen-Rich

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Magnetism during adsorption of oxygen in Pt segregated $Pt_3Ni$ (111): Density Functional Study

  • Kumar, Sharma Bharat;Kwon, O-Ryong;Odkhuu, Dorj;Hong, Soon-Cheol
    • Proceedings of the Korean Magnestics Society Conference
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    • 2011.12a
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    • pp.14-14
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    • 2011
  • Limited understanding of the surface properties of $Pt_3Ni$ for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cell (PEMFC) has motivated the study of magnetic properties and electronic structures of Pt segregated $Pt_3Ni$ (111) surface during adsorption of oxygen molecule on it. The first principle method based on density functional theory (DFT) is carried out. Nonmagnetic Pt has induced magnetic moment due to strong hybridization between Ni 3d and Pt 5d. It is found that an oxygen molecule prefers bridge site with Pt rich subsurface environment for adsorption on the surface of Pt segregated $Pt_3Ni$ (111). It is seen that there is very small charge transfer from $O_2$ to Pt. The curve of energy versus magnetic moment of the oxygen explains the magnetic moments in transition states. We found the dissociation barrier of 1.07eV significantly higher than dissociation barrier 0.77eV on Pt (111) suggesting that the dissociation is more difficult on Pt segregated $Pt_3Ni$ (111) surface. The spin polarized densities of states are presented in order to understand electronic structures of Pt and $O_2$ during the adsorption in detail.

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Atomic layer chemical vapor deposition of Zr $O_2$-based dielectric films: Nanostructure and nanochemistry

  • Dey, S.K.
    • Electrical & Electronic Materials
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    • v.16 no.9
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    • pp.64.2-65
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    • 2003
  • A 4 nm layer of ZrOx (targeted x-2) was deposited on an interfacial layer(IL) of native oxide (SiO, t∼1.2 nm) surface on 200 mm Si wafers by a manufacturable atomic layer chemical vapor deposition technique at 30$0^{\circ}C$. Some as-deposited layers were subjected to a post-deposition, rapid thermal annealing at $700^{\circ}C$ for 5 min in flowing oxygen at atmospheric pressure. The experimental x-ray diffraction, x-ray photoelectron spectroscopy, high-resolution transmission electron microscopy, and high-resolution parallel electron energy loss spectroscopy results showed that a multiphase and heterogeneous structure evolved, which we call the Zr-O/IL/Si stack. The as-deposited Zr-O layer was amorphous $ZrO_2$-rich Zr silicate containing about 15% by volume of embedded $ZrO_2$ nanocrystals, which transformed to a glass nanoceramic (with over 90% by volume of predominantly tetragonal-$ZrO_2$(t-$ZrO_2$) and monoclinic-$ZrO_2$(m-$ZrO_2$) nanocrystals) upon annealing. The formation of disordered amorphous regions within some of the nanocrystals, as well as crystalline regions with defects, probably gave rise to lattice strains and deformations. The interfacial layer (IL) was partitioned into an upper Si $o_2$-rich Zr silicate and the lower $SiO_{x}$. The latter was sub-toichiometric and the average oxidation state increased from Si0.86$^{+}$ in $SiO_{0.43}$ (as-deposited) to Si1.32$^{+}$ in $SiO_{0.66}$ (annealed). This high oxygen deficiency in $SiO_{x}$ indicative of the low mobility of oxidizing specie in the Zr-O layer. The stacks were characterized for their dielectric properties in the Pt/{Zr-O/IL}/Si metal oxide-semiconductor capacitor(MOSCAP) configuration. The measured equivalent oxide thickness (EOT) was not consistent with the calculated EOT using a bilayer model of $ZrO_2$ and $SiO_2$, and the capacitance in accumulation (and therefore, EOT and kZr-O) was frequency dispersive, trends well documented in literature. This behavior is qualitatively explained in terms of the multi-layer nanostructure and nanochemistry that evolves.ves.ves.

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Effects of $WSi_x$, thickness and F concentration on gate oxide characteristics in tungsten polycide gate structure (Tungsten polycide gate 구조에서 $WSi_x$ 두께와 fluorine 농도가 gate oxide 특성에 미치는 영향)

  • 김종철
    • Journal of the Korean Vacuum Society
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    • v.5 no.4
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    • pp.327-332
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    • 1996
  • In this study, the effects of $WSi_x$, thickness and fluorine concentration in tungsten polycide gate structure on gate oxide were investigated. As $WSi_x$, thickness increases, gate oxide thickness increases with fluorine incorporation in gate oxide, and time-to-breakdown($T_{BD,50%}$) of oxide decreases. The stress change with $WSi_x$ thickness was also examined. But it is understood that the dominant factor to degrade gate oxide properties is not the stress but the fluorine, incorporated during $WSi_x$ deposition, diffused into $WSiO_2$ after heat treatment. In order to understand the effect of fluorine diffusion into oxidem fluorine ion implanted gates were compared. The thickness variation and $T_{BD,50%}$ of gate oxide is saturated over 600 $\AA$ thickness of $WSi_x$. The TEM and SIMS studies show the microstructure less than 600 $\AA$ thickness is dense and flat in surface. However, over 600$\AA$, the microstructure of $WSi_x$ is divided into two parts: upper porous phase with rugged surface and lower dense phase with smmoth interface. And this upper phase is transformed into oxygen rich crystalline phase after annealing, and the fluorine is captured in this layer. Therefore, the fluorine diffusion into the gate oxide is saturated.

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Nucleation Enhancing Effect of Different ECR Plasmas Pretreatment in the RUO2 Film Growth by MOCVD (ECR플라즈마 전처리가 RuO2 MOCVD시 핵생성에 끼치는 효과)

  • Eom, Taejong;Park, Yunkyu;Lee, Chongmu
    • Journal of the Korean Ceramic Society
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    • v.42 no.2 s.273
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    • pp.94-98
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    • 2005
  • $RuO_2$ is widely studied as a lower electrode material for high dielectric capacitors in DRAM (Dynamic Random Access Memories) and FRAM (Ferroelectric Random Access Memories). In this study, the effects of hydrogen, oxygen, and argon Electron Cyclotron Resonance (ECR) plasma pretreatments on deposited by Metal Organic Chemical Vapor Deposition (MOCVD) $RuO_2$ nucleation was investigated using X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and Atomic Force Microscopy (AFM) analyses. Argon ECR plasma pretreatment was found to offer the highest $RuO_2$ nucleation density among these three pretreatments. The mechanism through which $RuO_2$ nucleation is enhanced by ECR plasma pretreatment may be that the argon or the hydrogen ECR plasma removes nitrogen and oxygen atoms at the TiN film surface so that the underlying TiN film surface is changed to Ti-rich TiN.

Optical and Structural Properties of Ammoniated GaOOH and ZnO Mixed Powders (암모니아 분위기에서 열처리된 GaOOH와 ZnO 혼합분말의 구조적·광학적 성질)

  • Song, Changho;Shin, Dongwhee;Byun, Changsob;Kim, Seontai
    • Korean Journal of Materials Research
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    • v.22 no.11
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    • pp.575-580
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    • 2012
  • The purpose of this study is to investigate the crystalline structure and optical properties of (GaZn)(NO) powders prepared by solid-state reaction between GaOOH and ZnO mixture under $NH_3$ gas flow. While ammoniation of the GaOOH and ZnO mixture successfully produces the single phase of (GaZn)(NO) solid solution within a GaOOH rich composition of under 50 mol% of ZnO content, this process also produces a powder with coexisting (GaZn)(NO) and ZnO in a ZnO rich composition over 50 mol%. The GaOOH in the starting material was phase-transformed to ${\alpha}$-, ${\beta}-Ga_2O_3$ in the $NH_3$ environment; it was then reacted with ZnO to produce $ZnGa_2O_4$. Finally, the exchange reaction between nitrogen and oxygen atoms at the $ZnGa_2O_4$ powder surface forms a (GaZn)(NO) solid solution. Photoluminescence spectra from the (GaZn)(NO) solid solution consisted of oxygen-related red-emission bands and yellow-, green- and blue-emission bands from the Zn acceptor energy levels in the energy bandgap of the (GaZn)(NO) solid solutions.

Effect of Aluminum on Nitrogen Solubility in Zinc Oxide: Density Functional Theory (산화 아연에서의 질소 용해도에 대한 알루미늄의 효과 : 밀도 범함수 이론)

  • Kim, Dae-Hee;Lee, Ga-Won;Kim, Yeong-Cheol
    • Korean Journal of Materials Research
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    • v.21 no.12
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    • pp.639-643
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    • 2011
  • Zinc oxide as an optoelectronic device material was studied to utilize its wide band gap of 3.37 eV and high exciton biding energy of 60 meV. Using anti-site nitrogen to generate p-type zinc oxide has shown a deep acceptor level and low solubility. To increase the nitrogen solubility in zinc oxide, group 13 elements (aluminum, gallium, and indium) was co-added to nitrogen. The effect of aluminum on nitrogen solubility in a $3{\times}3{\times}2$ zinc oxide super cell containing 72 atoms was investigated using density functional theory with hybrid functionals of Heyd, Scuseria, and Ernzerhof (HSE). Aluminum and nitrogen were substituted for zinc and oxygen sites in the super cell, respectively. The band gap of the undoped super cell was calculated to be 3.36 eV from the density of states, and was in good agreement with the experimentally obtained value. Formation energies of a nitrogen molecule and nitric oxide in the zinc oxide super cell in zinc-rich conditions were lower than those in oxygen-rich conditions. When the number of nitrogen molecules near the aluminum increased from one to four in the super cell, their formation energies decreased to approach the valence band maximum to some degree. However, the acceptor level of nitrogen in zinc oxide with the co-incorporation of aluminum was still deep.

Skin Anti-aging Effect of Forsythia viridissima L. Extract (연교추출물의 피부 항노화 효과)

  • Kim, Mi-Jin;Kim, Ja-Young;Jung, Teak-Kyu;Choi, Sang-Won;Yoon, Kyung-Sup
    • KSBB Journal
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    • v.21 no.6 s.101
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    • pp.444-450
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    • 2006
  • Skin anti-aging effect of Forsythia viridissima L. extract was evaluated by using antioxidant assay, expression of type I procollagen, and UVA-induced matrix metalloproteinase-1 in human dermal fibroblasts. Matairesinol-rich Forsythia viridissima L. extract was showed the scavenging activity of radicals and reactive oxygen species with the $IC_{50}$ values of $4.50\;{\mu}m/ml$ against 1,1-diphenyl-2-picrylhydrazly radical and $542.43\;{mu}m/ml$ against superoxide radicals in the xanthine/xanthine oxidase system, respectively. The type I procollagen was increased 33.76% by treatment with matairesinol-rich Forsythia viridissima L. extract, and UVA-induced MMP-1 was reduced 35.78% in a dose dependent manner. In the human skin irritation test, 2% matairesinol-rich Forsythia viridissima L. extract did not show any adverse effect. Also, the clinical study indicated that a cream group treated with 0.2% matairesinol-rich Forsythia viridissima L. extract significantly reduced skin wrinkles, as compared with a non-treated cream group (p < 0.05). These results suggest that Forsythia viridissima L. extract may be useful as a potential source of functional anti-aging cosmetics.

Investigation of Oxidation Behavior of Alloy 617 under Air/Helium Environments at 950℃ (니켈기 합금 Alloy 617의 950℃ 대기/헬륨 분위기에서 산화거동 고찰)

  • Jung, Sujin;Lee, Gyeong-Geun;Kim, Dong-Jin
    • Corrosion Science and Technology
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    • v.17 no.5
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    • pp.218-224
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    • 2018
  • Alloy 617 is a candidate Ni-based superalloy for intermediate heat exchanger (IHX) of a high-temperature gas reactor (VHTR), because of its good creep strength and corrosion resistance at high temperature. Small amount of impurities such as $H_2O$, $H_2$, CO and $CH_4$ are introduced inevitably in helium, as a coolant during operation of a VHTR. Reactions of material and impurities are accelerated with increase of temperature to $950^{\circ}C$ of operating temperature of a VHTR, leading to material corrosion aggravation. In this circumstance, high-temperature corrosion tests were performed at $950^{\circ}C$ in air and impure helium environments, up to 250 hours in this study. Oxidation rate of $950^{\circ}C$ in an air environment was higher than that of impure helium, explained by difference in outer oxide morphology and microstructure as a function of oxygen partial pressure. An equiaxed Cr-rich surface oxide layer was formed in an air environment, and a columnar Cr-rich oxide was formed in an impure helium environment.

Immunoenhancing Effect of 1,2-Benzopyrone on the Oxidative Burst Activity to Phagocytic Response of Canine Peripheral Blood Phagocytes (개 말초혈액 탐식세포의 탐식반응에 따른 순간산소 과소비현상에 있어 1,2-benzopyrone의 면역증강효과)

  • 김현아;강지훈;양만표
    • Journal of Veterinary Clinics
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    • v.21 no.3
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    • pp.236-242
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    • 2004
  • 1,2-benzopyrone can stimulate macrophages to increase the ability of phagocytosis. Peripheral blood polymorphonuclear cells (PMN) and macrophages destroy microbial organisms with reactive oxygen species (ROS), called oxidative burst activity (OBA). This study was undertaken to determine whether 1,2-benzopyrone affects the OBA on the phagocytic response of canine peripheral blood phagocytes. The OBA of phagocytes in the addition or absence of latex beads was analyzed by flow cytometry system using dihydrorhodamine 123 (DHR). The direct treatments of 1,2-benzopyrone have no effect on the OBA of peripheral blood mononuclear cells (PBMC), PMN and monocyte-rich cells regardless of addition of latex beads. When latex beads are added to PMN, the OBA of PMN was remarkably enhanced by culture supernatant from PBMC but not PMN treated with 1,2-benzopyrone. Similary, it was also enhanced by human recombinant (hr) $TNF-\alpha.$ However, when latex beads were not added to PMN, its OBA was not enhanced by culture supernatant from either PBMC or PMN treated with 1,2-benzopyrone. The OBA of latex beads-phagocytized PBMC and monocyte-rich cells was not enhanced by culture supernatant from either PBMC or PMN treated with 1,2-benzopyrone. These results strongly suggested that 1,2-benzopyrone has an immunoenhancing effect on the OBA of PMN when phagocytic response occurred only. This enhanced OBA may be mediated through active humoral substance(s), such as $TNF-\alpha,$ produced by PBMC stimulated with 1,2-benzopyrone.

Analysis of Pressure Fluctuations in a Gas Generator Assembled in a Powerpack (파워팩 상태의 가스발생기 동적 연소 특성 분석)

  • Seo, Seong-Hyeon;Han, Yeoung-Min;Choi, Hwan-Seok
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2009.05a
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    • pp.145-148
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    • 2009
  • Combustion tests of a fuel-rich gas generator had been conducted using the assembly of a powerpack. A gas generator is prone to longitudinal modes of combustion instabilities in a powerpack due to the increase of a characteristic length. It has been observed that the orifice inserted at the exit of the gas generator suppresses a longitudinal combustion instability. The intensities of pressure fluctuations in the manifolds and the chamber increase quadratically with a chamber pressure. Pressure fluctuations in the fuel manifold reveal two-fold strength greater than those in the oxygen manifold and the chamber. Frequency analysis indicates nonlinear characteristics inherent in the pressure fluctuations in the fuel manifold.

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