• Bulletin of the Korean Chemical Society
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• v.31 no.7
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• pp.1875-1880
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• 2010

A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

• Proceedings of the KSRS Conference
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• v.1
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• pp.446-449
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• 2006

It is backscattering of solar radiation by water body that makes ocean color observable from above, either by airplanes or satellites. Given the very low direct contribution to backscattering by phytoplankton cells, it is curious why the retrieval of phytoplankton concentration from remotely observed ocean color is evidently successful. From semianalytical bio-optical models, a dataset is created of spectral absorption, scattering and backscattering coefficients as a function of chlorophyll concentration. Four scenarios are considered, 1) only molecular and no particle scattering, 2) random particle backscattering uncorrelated with chlorophyll concentration, 3) constrained random particle scattering with known backscattering ratio, and 4) constrained random scattering with random backscattering ratio. Scenario 1 only introduces moderate errors of -20% - 90%. And for scenarios 3 and 4, the errors are largely within 30% and 100%. Scenario 2 introduces the largest errors, with the retrieved chlorophyll concentration virtually uncorrelated with the true values, implying the backscattering must somehow be related to the trophic state. The results of the study suggested These 3 cases confirmed that while it is the absorption by phytoplankton that in large part decides the accuracy of chlorophyll concentration retrieval, for the success of monitoring of global ocean primary productivity we have to improve our knowledge on particle backscattering.

• Journal of Hydrogen and New Energy
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• v.18 no.3
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• pp.256-264
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• 2007

In order to calculate the relation between the hydrogen and the hydrogen absorption metals in the atomic level, Embedded Atom Method(EAM) is recommended. In this study, we had constructed the EAM programs from constitutive formulas and parameters of the hydrogen and palladium for the purpose of predicting the expansion behavior on hydrogen absorbing in the geometric shape of hydrogen absorption metals, as palladium bars and plates. And the EAM analyses data were compared with the experiment data by using electrochemical method. As results, it is note that the expansion rate in thickness of the palladium plate model by EAM analyses is about 4 times larger than width and length, be similar to experiment results. Also, in the microscopic and macroscopic level the expansion behavior through EAM analyses show good agreement with experiment data.

• Proceedings of the SAREK Conference
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• 2009.06a
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• pp.668-672
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• 2009

This is to report the result of Development of Single effect/Double lift absorption chiller & heater which is used in the district heating net work. The heating cycle was newly developed to make the secondary hot water from evaporator and the cycle change-over function was added for the heating to the cooling mode and the cooling to the heating mode. Finally, it was assured through the site trial operation that the outlet temperature of primary hot water can be produced lower than $68^{\circ}C$ when the outlet temperature of secondary hot water is $60^{\circ}C$.

• Journal of the Korean Chemical Society
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• v.37 no.3
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• pp.335-343
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• 1993

The maximum absorption wavelengths of charge-transfer complexes of naphthalene, ${\alpha}-and{\beta}-methyl$ naphthalene and 1,2-, 2,3-and 2,6-dimethyl naphthalene with chloranil have been measured with a UV spectrophotometer in ethylene chloride, methylene chloride, and chloroform at 10, 15, 20, and 25$^{\circ}C$. This absorption band was interpreted as the charge transfer band of a 1 : 1 molecular complex, and the maximum absorption wavelength was changed as a function of solvent and temperature. Their formation constants (K$_f$) were decreased with the polarity of solvent and the increase of temperature. Thus, the influences of solvent and temperature on the formation constant have been discussed as consideration of thermodynamic properties, and the electronic and steric effects of electron donors on formation constant have been also discussed.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2006.12a
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• pp.39-42
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• 2006

Titania sols or powders were are very promising materials for environment as photocatalyst. The band gap energy of $TiO_2$ has been known to be 2.8 to 3.2 eV. But the measuring system of its band gap is usually depend on absorption properties. Thus, in this study, absorption properties of $TiO_2$ sols prepared by hydrothermal process were researched with the effect of various particle sizes and concentrations. The mean particle size in $TiO_2$ sols increased as 15 nm to 60 nm, absorption graph measured by UV-Vis spectrometer shows to move red-shift. When dilute solution added with $2^n$ in $TiO_2$, the band gap energy increases as linear function.

• The Bulletin of The Korean Astronomical Society
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• v.45 no.1
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• pp.44.4-45
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• 2020

The solar chromosphere can be observed well through strong absorption lines. We infer the physical parameters of chromospheric plasmas from these lines using a multilayer spectral inversion. This is a new technique of spectral inversion. We assume that the atmosphere consists of a finite number of layers. In each layer the absorption profile is constant and the source function is allowed to vary with optical depth. Specifically, we consider a three-layer model of radiative transfer where the lowest layer is identified with the photosphere and the two upper layers are identified with the chromosphere. This three-layer model is fully specified by 13 parameters. Four parameters can be fixed to prescribed values, and one parameter can be determined from the analysis of a satellite photospheric line. The remaining eight parameters are determined from a constrained least-squares fitting. We applied the multilayer spectral inversion to the spectral data of the Hα and the Ca II 854.21 nm lines taken in a quiet region by the Fast Imaging Solar Spectrograph (FISS) of the Goode Solar Telescope (GST). We find that our model successfully fits most of the observed profiles and produces regular maps of the model parameters. We conclude that our multilayer inversion is useful to infer chromospheric plasma parameters on the Sun.

• Journal of Ecology and Environment
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• v.41 no.12
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• pp.328-335
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• 2017

Background: Some researchers have attempted to evaluate the ecological function of various additional services, away from the main point of view on the timber production of Korean forests. However, basic data, evaluation models, or studies on the absorption of air pollutants related to major plant communities in Korea are very rare. Therefore, we evaluated the functional value of the forest ecosystem in Gongju-city. Plantation manual for air purification, supplied from the Ministry of Environment in Japan, was referred to process and method for assessment of air pollutant absorption. Results: Gross primary production was calculated about average 18.2 t/ha/year. It was a relatively low value in forests mixed with deciduous broad and evergreen coniferous compared to pure coniferous forest. Net primary production was the highest value in deciduous coniferous and was the lowest value in mixed forest with deciduous broad and evergreen broad. And the mean sequestration amount of each air pollutant per unit area per year assessed from gross primary production and concentration of gas was the highest with 75.81 kg/ha/year in $O_3$ and was 16.87 and 6.04 kg/ha/year in $NO_2$ and $SO_2$, respectively. In addition, total amounts of $CO_2$ absorption and $O_2$ production were 716,045 t $CO_2$/year and 520,760 t $O_2$/year in all forest vegetation in Gongju-city. Conclusions: In this study, we evaluated the absorption ability of air pollutant in 2014 on forest in Gongju-city area. Gongju-city has the broad mountain area about 70.3%, and area of deciduous broad leaves forest was established the broadest with 47.4% of genus Quercus. Pg was calculated about average 18.2 t/ha/year. The mean sequestration amount of each air pollutant per unit area per year assessed from Pg and $C_{gas}$ was the highest with 75.81 kg/ha/year in $O_3$ and were 16.87 and 6.04 kg/ha/year in $NO_2$ and $SO_2$, respectively. Absorption rates of $O_3$, $NO_2$, and $SO_2$ were the highest in evergreen coniferous forest about $14.87kgO_3/ha/year$, $3.30kgNO_2/ha/year$, $1.18kgSO_2/ha/year$, and the lowest were $5.95kgO_3/ha/year$, $1.32kgNO_2/ha/year$, and $0.47kgSO_2/ha/year$ in deciduous broad forest. In conclusion, it was evaluated that Japanese model is suitable for estimating air pollutants in Japan to Korean vegetation. However, in Korea, there is a very limited basic data needed to assess the ability of forests to absorption of air pollutants. In this study, the accuracy of a calculated value is not high because the basic data of trees with similar life form are used in evaluation.

• Korean Journal of Mineralogy and Petrology
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• v.34 no.2
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• pp.121-131
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• 2021

Magnesium (Mg) present in carbonate minerals as impurities has been used as a geochemical proxy to infer the environmental conditions where the minerals precipitated. The reliability of Mg geochemical proxies requires fundamental understanding of Mg incorporation into minerals based on accurate speciation of Mg ²⁺ in the crystal structure, which is determined mainly by application of X-ray absorption spectroscopy (XAS). However, high uncertainties are involved in interpreting the XAS spectra of minerals containing trace amount of Mg ²⁺. Because density function theory (DFT) can predict an XAS spectrum for a crystal structure, DFT calculations can reduce the uncertainties in the interpretation of the XAS spectrum. In this study, we calculated ab initio Mg K-edge absorption spectra of Mg silicates and (hydr)oxides based on DFT and analyzed the correlation between the calculated spectra and Mg structural parameters. Our ab initio Mg K-edge absorption spectra well reproduced the key features of the experimental spectra. The absorption-edge positions of the calculated spectra showed the weak positive correlation with the average Mg-O bond distance or Mg effective coordination number. The current study shows that DFT-based core-level spectroscopy method is a powerful tool in providing standard Mg K-edge spectra of diverse Mg minerals and determining the Mg chemical species within carbonate minerals.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.295-295
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• 2016

Recently, TCO films with low carrier concentration, high mobility and high work function are proposed beneficial as front electrode in HIT solar cell due to free-carrier absorption in NIR wavelength region and low Schottky barrier height in the front TCO/a-Si:H(p) interface. We report high transmittance and work function zirconium-doped indium tin oxide (ITO:Zr) films with various plasma (Ar/O2 and Ar) conditions. The role of (Ar/O2) plasma was to enhance the work function of the ITO:Zr films whereas the pure Ar plasma based ITO:Zr showed good electrical properties. The RF magnetron sputtered ITO:Zr films with low resistivity and high transmittance were employed as front electrode in HIT solar cells, yield the best performance of 18.15% with an open-circuit voltage of 710 eV and current density of 34.63 mA/cm2. The high work function ITO:Zr films can be used to modify the front barrier height of HIT solar cell.