• Bulletin of the Korean Chemical Society
• /
• 제32권11호
• /
• pp.4011-4015
• /
• 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
• /
• 제9권1호
• /
• pp.55-60
• /
• 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
• /
• 제32권7호
• /
• pp.2332-2338
• /
• 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.

• 자원환경지질
• /
• 제49권5호
• /
• pp.335-347
• /
• 2016

정선 지역 고품위 석회석 광산인 강원, 충무 및 백운 광산을 대상으로 풍촌층 상부 층준의 대표적 탄산염암을 구분하고 각 유형의 전암 분석 및 VNIR-SWIR(visible near infrared-short wavelength infrared) 분광분석을 실시하여, 현장에서 고품위 석회석의 CaO 함량, 이질 불순물 및 백색도를 평가할 수 있는 분석법을 제시하였다. 동일 시료에서 분말 시료의 분광 반사도는 절단 시편에 비하여 매우 높은 분광 반사도를 보였고, 탄산염암의 분말 시료는 백색도와 분광 반사도가 0.99의 매우 높은 상관관계를 보이고 있다. 전암 분석에서 확인된 충무광산의 방해석과 백운석 분말 시료를 75:25, 50:50, 25:75 질량비로 혼합하여 각각 스펙트럼의 변화를 확인하고, 탄산염암의 CaO 함량과 흡수파장을 비교한 결과 0.98~0.99로 매우 높은 상관도를 보이고 있다. 탄산염암의 흡수파장과 화학조성은 2340 nm(55.86 wt.%)에서 2320 nm(29.71 wt.%)로 이는 $CO{_3}^{-2}$ 성분과 결합하고 있는 Ca 함량과 이를 치환하는 Mg 성분 함량의 차이에 따라 흡수 위치가 변화되는 것을 의미하며, 현장에서 분광분석을 통한 탄산염광물의 CaO 함량을 정량적으로 적용할 수 있다.

• Fibers and Polymers
• /
• 제6권2호
• /
• pp.127-130
• /
• 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.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 1999년도 제17회 학술발표회 논문개요집
• /
• pp.135-135
• /
• 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.

• 한국진공학회지
• /
• 제8권1호
• /
• pp.20-25
• /
• 1999

여러 가지 방법의 plasma 표면 처리와 산화 공정이 $SiO_2-Si$(100) 계면에 미치는 물리적 영향을 angle resolved uv-photoelectron spectroscopy(ARUPS)를 이용하여 연구하였다. 표면은 ex situ 방법과 함께 in situ 수소 플라즈마를 이용하여 처리되어 졌으며, 이것은 고진공 고온 열 처리 방법과 비교되어졌다. ARUPS 빛띠 상에 나타난 산화물 가전자 띠에 대한 특징적인 peak 위치는 표면 처리 및 산화 공정 방법에 따라 이동하였다. 이러한 peak의 이동은 Si에서의 띠휨에 의한 것으로 분석되어졌다. 또한 peak 이동의 원인으로 Si-SiO2 계면에 형성된 결점과 표면 처리 공정에 따라 달라지는 표면 거칠기 등을 고려할 수 있었다. 여러 공정에 대한 ARUPS 결과를 비교함으로써 $Si--SiO_2$(계면 결합이 표면 처리 및 산화 방법에 깊이 관련되어 있음을 결론지을 수 있었다. 산소 plasma 공정은 가장 작은 band bending을 보여주었다.

• Progress in Superconductivity
• /
• 제6권1호
• /
• pp.89-94
• /
• 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.

• 대한화학회지
• /
• 제51권2호
• /
• pp.136-140
• /
• 2007

이산 쌍극자 근사를 이용하여 수용액상의 금-은 합금 나노입자의 표면 플라즈몬 공명 스펙트럼을 계산하였다. 직경 10 나노미터의 금-은 합금 입자의 경우에 스펙트럼의 최대 소광 파장이 합금의 은 성분이 높아짐에 따라 선형적으로 짧은 파장대로 이동하며 최대 소광 세기는 지수적으로 증가함을 관측하였다. 이러한 계산결과는 실험 결과들과 잘 일치하는 것을 확인하였다.

• JSTS:Journal of Semiconductor Technology and Science
• /
• 제16권2호
• /
• pp.185-190
• /
• 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.