• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.4011-4015
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• 2011

We explored the interpretation of the well-accepted correlation between the apparent peak maximum position shift and extent of molecular interactions, like hydrogen bonding and dipole-dipole interactions, based on the overlapped multiple band model. The simulation of two overlapped Lorentzian bands was carried out to interpret how the maximum position of a composite peak relates to the relative contributions of two species representing the different levels of molecular interactions, i.e., free (or very weekly bound) vs. strongly bound. To demonstrate the validity of our interpretation of the origin of the peak position shift, the temperaturedependent IR spectra of ethylene glycol were also analyzed. It was found through the analysis of simulated and experimental spectra that the apparent peak shift in certain case can be safely interpreted as the measure of the strength of hydrogen bonding. The result of this study gives a new insight to interpret molecular interactions probed by vibrational spectroscopy.

• International Journal of Concrete Structures and Materials
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• v.9 no.1
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• pp.55-60
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• 2015

In this study, influence of different stone powders (SP), including limestone powders (LP), quartzite powders (QP), and granitic powders (GP), on the hydration behaviors of portland cement, for example, setting time, hydration heat, and hydration products, were discussed. The initial and the final setting time both shorten when the content of LP is 5 %, however, they are slightly delayed by the other two SPs. The LP has no obvious influence on the arrival time of the first peak in the exothermal curves, and it makes the peak value decrease; the other two SPs postpone the appearance of the first peak, and they also make the peak value decrease. For the second peak, LP shifts the peak position to the left, QP has no effect on this peak position, and GP makes the appearance of this peak delayed by 143 min. Similarly, three kinds of SPs have different influence on the hydration products of portland cement. The LP precipitates the formation of hydrated calcium carbo aluminate, the QP the formation of hydrated garnet, and the GP makes the amount of Tobermorite increase.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2332-2338
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• 2011

In this study, we proposed a new promising idea of utilizing moving window principal component analysis (MWPCA) as a sensitive diagnostic tool to detect the presence of peak position shift. In this approach, the moving window is constructed from a small data segment along the wavenumber axis. For each window bound by a narrow wavenumber region, separate PCA analysis was applied. Simulated spectra with complex spectral feature variations were analyzed to explore the possibility of MWPCA technique. This MWPCA-based detection of the peak shift, potentially coupled with 2D correlation analysis to provide additional verification, may offer an attractive solution.

• Economic and Environmental Geology
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• v.49 no.5
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• pp.335-347
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• 2016

The mineralogical and geochemical characteristics of diverse carbonate rocks can be investigated by using VNIRSWIR(visible near infrared-short wavelength infrared) spectroscopic analysis as a rapid, nondestructive, and inexpensive tool. Comparing whole rock analysis to VNIR-SWIR spectroscopic analysis, the analytical method was investigated to estimate CaO contents, mud impurity, and whiteness of carbonate rocks involved in high-grade limestones in the field. We classify typical carbonate rocks in the upper Pungchon Formation in high-grade limestone mine area such as the Gangweon, Chungmu and Baegun mine in the Jeongseon area. The results show that powdered specimen has much higher reflectance than cutted specimen between the same sample. Whiteness is highly correlated with reflectance(0.99) for powdered specimen. The absorption of mineral mixtures shifts in position as a result of the mass ratio of calcite and dolomite in the Chungmu mine by changing to 75:25, 50:50, and 25:75. The absorption peak position in carbonate mixtures is highly correlated with CaO contents(0.98~0.99). Based on color system, the carbonate rocks are grouped into (milky) white, light grey, light brown, grey, and dark grey. The absorption peak position shifts from 2340 nm to 2320 nm as CaO contents decrease from 55.86 wt.% to 29.71 wt.%. We confirmed that absorption peak position shifts depending on the amount of Ca, which is bonded to $CO{_3}^{-2}$, Mg, and Fe contents replacing Ca. This result suggests that CaO contents in carbonate rocks can be considered to quantitative analysis in the field by spectroscopic analysis.

• Fibers and Polymers
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• v.6 no.2
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• pp.127-130
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• 2005

Intrinsic UV reflection and fluorescence behaviors of polycarbonate, polyurethane and poly(ethylene terephthalate) films were investigated in order to characterize the interaction of water in these films. During water sorption process, UV reflection spectra of polycarbonate and polyurethane films showed little peak position changes. Fluorescence emission spectra of polycarbonate films showed red spectral shifts from 332 nm with water immersion time. This red-shifted peak could be due to phenyl-2-phenoxybenzoate, which is one of the major thermal degradation products in polycarbonate. Fluorescence peaks of polyurethane films appeared at two different positions and the ratio of these peak intensities increased with increasing immersion time. In the case of PET films, the UV reflection spectrum showed the peak intensity around 340 nm to change in response to water sorption. The fluorescence near 388 nm probably due to ground state dimer exhibited sensitivity with water sorption, when excited at 340 nm.

• Proceedings of the Korean Vacuum Society Conference
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• 1999.07a
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• pp.135-135
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• 1999

It is well known that Raman spectroscopy is powerful tool in analysis of sp3/sp3 bonding fraction in diamond-like carbon(DLC) films. Raman spectra of DLC film is composed of D-peak centered at 1350cm-1 and G-peak centered at 1530cm-1. The sp3/sp3 fraction is qualitatively acquired by deconvolution method. However, in case of DLC film, it is generally observed that G-peak position shifts toward low wavenumber as th sp3 fraction increases. However, opposite results were frequently observed in ta-C films. ta-C film has much higher residual compressive stress due to its high sp3 fraction compared to the DLC films deposited by CVD method. Effect of residual stress on G-peak position is most recommendable parameter in Raman analysis of ta-C, due to its smallest fitting error among many parameters acquired by peak deconvolution of symmetric spectra. In current study, the effect of residual stress on Raman spectra was quantitatively evaluated by free-hang method. ta-C films of different residual stress were deposited on Si-wafer by modifying DC-bias voltage during deposition. The variation of the G-peak position along the etching depth were observed in the free-hangs of 20~30${\mu}{\textrm}{m}$ etching depth. Mathematical result based on Airy stress function, was compared with experimental results. The more reliable analysis excluding stress-induced shift was possible by elimination of the Raman shift due to residual compressiove stress.

• Journal of the Korean Vacuum Society
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• v.8 no.1
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• pp.20-25
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• 1999

The effect of different plasma surface preparation and oxidation processes for the formation of $SiO_2-Si$(100) interfaces was studied using angle resolved uv-photoelectron spectroscopy. The surface preparation processes included ex situ preclean as well as in situ hydrogen plasma, which were compared to the processes of UHV annealing at high temperature. The spectral position of the oxide valence band features, with respect to the Fermi level. Were found to shift according to the different processes of surface preparation and oxidation. The shifts were analyzed in terms of band bending in the Si. Origins of the spectral shifts were considered to include defects at the $SiO_2Si$ interfaces and surface morphology(roughness) dependent on the surface preparation processes. From comparison of the ARUPS results of the various processes, it was concluded that the interface bonding of the silicon oxide-showed the lowest band bending.

• Progress in Superconductivity
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• v.6 no.1
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• pp.89-94
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• 2004

The policrystalline$SmBa_2$$Cu_2$$O_{y}$ was synthesized by the solid state reaction method. The dependence of AC susceptibility on temperature and applied ac field was studied. The critical temperature $T_{c}$ is about 92 K. As the ac field is increased, the slope and the value of real part of susceptibility become smaller and the peak position of imaginary part $T_{P}$ was shifted to a lower temperature with peak broadening. Using Bean's model, we determined intergrain critical current density $J_{c}$ and obtained $44 A/{cm}^2$ at 75 K. From the relation of the $J_{c}$ (T)=($1-T/T_{c}$ )$^{\beta}$ we obtained $\beta$=0.8 and found that the Josephson junction type of the $SmBa_2$$Cu_2$$O_{y}$ is SIS junction. The peak of the imaginary part shifts to higher temperature with increasing frequency, f. from Arrhenius plot, we obtained the activation energy of about 0.96 eV.

• Journal of the Korean Chemical Society
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• v.51 no.2
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• pp.136-140
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• 2007

By using the discrete-dipole approximation, we computed the extinction spectrum of a gold-silver alloy nanoparticle. We have examined how the surface plasmon resonance changes with respect to the variation in the composition of the alloy particle. As the fraction of silver increases for a 10nm particle, the peak position of the extinction spectrum blue-shifts linearly. The intensity of the peak however increases exponentially with increasing the silver fraction. These results are in accord with the previous experimental results.

• JSTS:Journal of Semiconductor Technology and Science
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• v.16 no.2
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• pp.185-190
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• 2016

A 70-${\AA}$ nanowire field-effect transistor (FET) for sub-10-nm CMOS technology is designed and simulated in order to investigate the impact of an oxide trap on random telegraph noise (RTN) in the device. It is observed that the drain current fluctuation (${\Delta}I_D/I_D$) increases up to a maximum of 78 % due to the single electron trapping. In addition, the effect of various trap positions on the RTN in the nanowire FET is thoroughly analyzed at various drain and gate voltages. As the drain voltage increases, the peak point for the ${\Delta}I_D/I_D$ shifts toward the source side. The distortion in the electron carrier density and the conduction band energy when the trap is filled with an electron at various positions in the device supports these results.