• Journal of the Mineralogical Society of Korea
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• v.27 no.1
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• pp.1-15
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• 2014

Probing the electronic structures of crystalline Mg-silicates at high pressure is essential for understanding the various macroscopic properties of mantle materials in Earth's interior. Quantum chemical calculations based on the density functional theory are used to explore the atomic configuration and electronic structures of Earth materials at high pressure. Here, we calculate the partial density of states (PDOS) and O K-edge energy-loss near-edge structure (ELNES) spectra for $MgSiO_3$ perovskite at 25 GPa and 120 GPa using the WIEN2k program based on the full-potential linearized projected augmented wave (FP-LPAW) method. The calculated PDOS and O K-edge ELNES spectra for $MgSiO_3$ Pv show significant pressure-induced changes in their characteristic spectral features and relative peak intensity. These changes in spectral features of $MgSiO_3$ Pv indicate that the pressure-induced changes in local atomic configuration around O atoms such as Si-O, O-O, and Mg-O length can induce the significant changes on the local electronic structures around O atoms. The result also indicates that the significant changes in O K-edge features can results from the topological densification at constant Si coordination number. This study can provide a unique opportunity to understand the atomistic origins of pressure-induced changes in local electronic structures of crystalline and amorphous $MgSiO_3$ at high pressure more systematically.

• Radiation Oncology Journal
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• v.15 no.2
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• pp.153-158
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• 1997

Purpose : The Dual-Energy Quantitative Computed Tomography(DEQCT) was compared with bone equivalent $K_2HPO_4$ standard solution and ash weight of animal cadaveric trabecular bone in the measurement of bone mineral contents(BMC). Method and Materials : The attenuation coefficient of tissues highly depends on the radiation energy density and effective atomic number of composition, The bone mineral content of DEQCT in this experiments was determined from empirical constants and mass attenuation coefficients of bone,fat and soft tissue equivalent solution in two photon spectra. In this experiments, the BMC of DEQCT with 80 and $120kV_p$ X rays was compared to ash weight of animal trabecular bone. Results : We obtained the mass attenuation coefficient of 0.2409 0.5608 and 0.2206 in $80kV_p$, and 0.2046, 0.3273 and $0.1971cm^2/g$ in $120kV_p$ X-ray spectra for water bone and fat equivalent materials, respectively. The BMC with DEQCT was acomplished with empirical constants $K_1=0.3232,\;K_2$=0.2450 and mass attenuation coefficients has very closed to ash weight of animal trabecular bone The BMC of empirical DEQCT and that of manufacturing DEQCT were correlated with ash weight as a correlation r= 0.998 and r= 0.996, respectively. Conclusion : The BMC of empirical DEQCT using the experimental mass attenuation coefficients and that of manufacture have showed very close to ash weight of animal trabecular bone.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.11 no.2
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• pp.71-77
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• 2001

We investigated photoluminescence, long-phosphorescent and crystalline properties with various $Dy_2$$O_3$ compositions (0.0~9.5mol%) in $SrAl_2$$O_4$ : $Eu^{2+}$,$Dy^{3+}$ phosphor powders prepared by the solid state reaction. The highest emission wavelength (520nm) of photoluminescence spectra was not affected by the Dy doping concentrations. The$SrAl_2$$O_4$single phase which was determined by X-ray diffraction and photoluminescence was appeared for the concentrations of $Dy_2$$O_3$$\leq$1.0 mol%. After removal of the pulsed Xe-lamp excitation (360nm), also, excellent long phosphorescent properties of the phosphors were obtained with the concentrations of $Dy_2$$O_3$$\leq$1.0mol%, although the decay time for all phosphors decrease exponentially.

• Journal of the Microelectronics and Packaging Society
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• v.22 no.3
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• pp.45-50
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• 2015

The goal of this research is the create novel magnets with no rare-earth contents, with larger energy product by comparison with currently used ferrites. For this purpose we developed nano-sized hard-type/soft-type composite ferrite in which high remanent magnetization (Mr) and high coercivity (Hc). Nano-sized Ba-ferrite, Ni-Zn ferrite and $BaFe_{12}O_{19}/Ni_{0.5}Zn_{0.5}Fe_2O_4$ composite ferrites were prepared by sol-gel combustion method by use of glicine-nitrate and citric acid. Nanocomposite ferrites were calcined at temperature range $700-900^{\circ}C$ for 1h. According to the X-ray diffraction patterns and FT-IR spectra, single phase of NiZn-ferrite and Ba-ferrite were detected and hard/soft nanocomposite ferrite was indicated to the coexistence of the magnetoplumbite-structural $BaFe_{12}O_{19}$ and spinel-structural $Ni_{0.5}Zn_{0.5}Fe_2O_4$ that agreed with the standard JCPDS 10-0325 data. The particle size of nanocomposite turn out to be less than 120 nm. The nanocomposite ferrite shows a single-phase magnetization behavior, implying that the hard magnetic phase and soft magnetic phase were well exchange-coupled. The specific saturation magnetization ($M_s$) of the nanocomposite ferrite is located between hard ($BaFe_{12}O_{19}$) and soft ferrite($Ni_{0.5}Zn_{0.5}Fe_2O_4$). The remanence (Mr) of nanocomposite ferrite is much higher than that of the individual $BaFe_{12}O_{19}$ and $Ni_{0.5}Zn_{0.5}Fe_2O_4$ ferrite, and $(BH)_{max}$ is increased slightly.

• Korean Journal of Materials Research
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• v.21 no.5
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• pp.250-254
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• 2011

We have synthesized bluish-green, highly-efficient $BaSi_2O_2N_2:Eu^{2+}$ and $(Ba,Sr)Si_2O_2N_2:Eu^{2+}$ phosphors through a conventional solid state reaction method using metal carbonate, $Si_3N_4$, and $Eu_2O_3$ as raw materials. The X-ray diffraction (XRD) pattern of these phosphors revealed that a $BaSi_2O_2N_2$ single phase was obtained. The excitation and emission spectra showed typical broadband excitation and emission resulting from the 5d to 4f transition of $Eu^{2+}$. These phosphors absorb blue light at around 450 nm and emit bluish-green luminescence, with a peak wavelength at around 495 nm. From the results of an experiment involving Eu concentration quenching, the relative PL intensity was reduced dramatically for Eu = 0.033. A small substitution of Sr in place of Ba increased the relative emission intensity of the phosphor. We prepared several white LEDs through a combination of $BaSi_2O_2N_2:Eu^{2+}$, YAG:$Ce^{3+}$, and silicone resin with a blue InGaN-based LED. In the case of only the YAG:$Ce^{3+}$-converted LED, the color rendering index was 73.4 and the efficiency was 127 lm/W. In contrast, in the YAG:$Ce^{3+}$ and $BaSi_2O_2N_2:Eu^{2+}$-converted LED, two distinct emission bands from InGaN (450 nm) and the two phosphors (475-750 nm) are observed, and combine to give a spectrum that appears white to the naked eye. The range of the color rendering index and the efficiency were 79.7-81.2 and 117-128 lm/W, respectively. The increased values of the color rendering index indicate that the two phosphor-converted LEDs have improved bluish-green emission compared to the YAG:Ce-converted LED. As such, the $BaSi_2O_2N_2:Eu^{2+}$ phosphor is applicable to white high-rendered LEDs for solid state lighting.

• Korean Journal of Soil Science and Fertilizer
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• v.39 no.3
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• pp.157-162
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• 2006

Objective of this research was to evaluate optimal conditions of arsenic adsorption in water by zero-valent iron (ZVI). Batch experiment showed that adsorption of arsenic by ZVI followed a Langmuir isotherm model. The masses of As(V) adsorbed onto ZVI were increased as decreasing pH of the reacting solution (pH 3: 2.05, pH 5: 1.82, pH 7: 1.24, pH 9: 1.03 mg As/g $Fe^0$) and as increasing the temperature ($15^{\circ}C$ : 1.59, $25^{\circ}C$ : 1.81, 35 : $1.93^{\circ}C$ mg As/g $Fe^0$). The SEM and EDS (energy dispersive X-ray spectrometer) analysis of morphology and structure of ZVI before and after reacting with arsenic in water revealed that a relatively smooth and large surface of ZVI was transformed into a coarse and small surface particle after the reaction. The EDS spectra on the chemical composition of ZVI demonstrated that arsenic was incorporated into ZVI by adsorption mechanism. The XRD analysis also identified that the only peak for $Fe^0$ in the ZVI before the reaction and confirmed that $Fe^0$ was transformed into $Fe_2O_3$ and FeOOH, and As into $FeAsO_4{\cdot}2H_2O$.

• Korean Chemical Engineering Research
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• v.55 no.3
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• pp.353-357
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• 2017

In this study, the inclusion phenomena of tetrahydrofuran + 3-hydroxytetrahydrofuran + $CH_4$ clathrate hydrates were explored via thermodynamic and spectroscopic approaches. The phase equilibria of the double hydrates - THF + $CH_4$ and 3-OH THF + $CH_4$ clathrate hydrates - were determined by pressure-temperature trace during hydrate formation and dissociation, and the result revealed that the equilibrium pressures were shifted to lower pressure region compared to pure $CH_4$ hydrate. The powder X-ray diffraction patterns revealed that the double hydrates of THF + 3-OH THF formed structure II type clathrate hydrates with $CH_4$. The dispersive Raman spectra of the double clathrate hydrates also exhibited that $CH_4$ can be trapped in both $5^{12}6^4$ and $5^{12}$ cages whereas THF and 3-OH THF were encaged in $5^{12}6^4$ cage.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.20 no.10
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• pp.829-838
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• 2007

The stochiometric mix of evaporating materials for the $CdGa_2Se_4$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, $CdGa_2Se_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $630^{\circ}C$ and $420^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD).The carrier density and mobility of $CdGa_2Se_4$ single crystal thin films measured from Hall effect by van der Pauw method are $8.27{\times}10^{17}\;cm^{-3},\;345\;cm^2/V{\cdot}s$ at 293 K. respectively. The temperature dependence of the energy band gap of the $CdGa_2Se_4$ obtained from the absorption spectra was well described by the Varshni's relation, $Eg(T)\;=\;2.6400\;eV\;-\;(7.721{\times}10^{-4}\;eV/K)T^2/(T+399\;K)$. After the as-grown single crystal $CdGa_2Se_4$ thin films were annealed in Cd-, Se-, and Ga -atmospheres, the origin of point defects of single crystal $CdGa_2Se_4$ thin films has been investigated by PL at 10 K. The native defects of $V_{Cd}$, $V_{Se}$, $Cd_{int}$, and $Se_{int}$ obtained by PL measurements were classified as donors or accepters. We concluded that the heat-treatment in the Cd-atmosphere converted single crystal $CdGa_2Se_4$ thin films to an optical p-type. Also, we confirmed that Ga in $CdGa_2Se_4/GaAs$ did not form the native defects because Ga in single crystal $CdGa_2Se_4$ thin films existed in the form of stable bonds.

• Applied Chemistry for Engineering
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• v.29 no.1
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• pp.37-42
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• 2018

In order to increase the compatibility of polypropylene (PP) and kenaf fiber (KF) felt, PP/KF and PP/KF/polyurethane (PU) felt composites were prepared by treating KF with three kinds of silane coupling agents. The concentration of silane coupling agents was fixed at 1 wt%. The chemical reaction between KF and silane coupling agents was confirmed by the existence of Si-O-Si and Si-O-C functional group bands appeared on FT-IR and X-ray photoelectron spectra (XPS). Thermal properties of PP/KF composites were investigated by DSC and TGA, and the thermal stability of PP/KF composites with treated KF increased. Based on tensile, flexural and impact properties of PP/KF and PP/KF/PU composites, 1-2 wt% of (3-aminopropyl)triethoxysilane (APS) contents were the optimum formulation as a compatibilizer. The tensile and flexural strength of the felt composites treated with the silane coupling agents were improved. This is mainly due to the improvement in the compatibility between PP and KF, which was confirmed by SEM images of the fractured surfaces after tension tests.

• Journal of Sensor Science and Technology
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• v.23 no.1
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• pp.51-57
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• 2014

The evaporating materials for $MgGa_2Se_4$ single crystal thin films was prepared from horizontal electric furnace. To obtain the single crystal thin films, $MgGa_2Se_4$ compounded polycrystal powder was deposited on thoroughly etched semi-insulated GaAs(100) substrate by the hot wall epitaxy (HWE) method system. The source and substrate temperatures of optimized growth conditions, were $610^{\circ}C$ and $400^{\circ}C$, respectively.The source and substrate temperatures were $610^{\circ}C$ and $400^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by double crystal X-ray diffraction (DCXD). The temperature dependence of the energy band gap of the $MgGa_2Se_4$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=2.34\;eV-(8.81{\times}10^{-4}\;eV/K)T^2/(T+251\;K)$. After the as-grown $MgGa_2Se_4$ single crystal thin films was annealed in Mg-, Se-, and Ga-atmospheres, the origin of point defects of $MgGa_2Se_4$ single crystal thin films has been investigated by the photoluminescence (PL) at 10 K. The native defects of $V_{Mg}$, $V_{Se}$ obtained by PL measurements were classified as a donors or acceptors type. And we concluded that the heat-treatment in the Se-atmosphere converted $MgGa_2Se_4$ single crystal thin films to an optical n-type. Also, we confirmed that Ga in $MgGa_2Se_4$/GaAs did not form the native defects because Ga in $MgGa_2Se_4$ single crystal thin films existed in the form of stable bonds.