• Bulletin of the Korean Chemical Society
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• 제13권2호
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• pp.148-155
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• 1992

Computerized interpretation of vapor phase infrared spectra using a novel expert system approach for spectra/structure correlation for vapor phase spectra is introduced. Rapid identification of aromatic functional groups of components in gaseous mixture can be achieved using this expert system.

• Bulletin of the Korean Chemical Society
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• 제30권2호
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• pp.467-470
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• 2009

• 반도체디스플레이기술학회지
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• 제14권4호
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• pp.20-24
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• 2015

This study was explained the correlation between the O 1s spectra and the crystallization of ITO thin films. The crystal structure of ITO thin films changed with various annealing temperatures and annealing methods such as atmosphere or vaccum conditions. The amorphous structure observed from XRD pattern showed the O 1s spectra with 531.2 eV, and the crystal structure of annealed ITO films analyzed by XRD pattern had the O 1s spectra of 529.8 eV as lower binding energy then the 531.2 eV. Oxygen in view of ITO films was related to the crystallization, and the ITO films annealed in an atmosphere pressure showed higher crystal structure than the ITO annealed in a vaccum. It was indicated that the amorphous structure had higher binding energy than the crystal structure analyzed by O 1s spectra of ITO films.

• Bulletin of the Korean Chemical Society
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• 제25권4호
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• pp.466-470
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• 2004

The crystals of the new melaminium salt, i.e. melaminium acetate acetic acid solvate monohydrate, $C_3H_7N_6^+ {\cdot}CH_3COO^- {\cdot}CH_3COOH{\cdot}H_2O$, were obtained by the slow evaporation of an aqueous solution at room temperature. Powder infrared and Raman spectra were measured and interpreted. The vibrational spectra in the region of internal vibrations of ions corroborate structural data recently published by Perpetuo and Janczak.$^1$ Some spectral features of this new crystal are referred to corresponding one for melamine crystal as well as other melamine complexes in crystalline form. Hydrogen-bonded network present in the crystal gives notable vibrational effect.

• 한국지진공학회논문집
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• 제20권1호
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• pp.55-62
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• 2016

It is important to select an accurate set of ground motions when conducting linear and nonlinear response history analyses of structures. This study proposes a method for selecting ground motions from a ground motion library with response spectra that match the target response spectrum mean, variance and correlation structures. This study also has addressed the determination of an appropriate value for the weight factor of a correlation structure. The proposed method is conceptually simple and straightforward, and does not involve a simulation algorithm. In this method, a desired number of ground motions are sequentially selected from first to last. The proposed method can be also used for selecting ground motions with response spectra that match the conditional spectrum. The accuracy and efficiency of the proposed procedure are verified with numerical examples.

• 한국재료학회지
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• 제27권5호
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• pp.242-247
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• 2017

ZnO film was prepared on a p-type Si wafer and then annealed at various temperatures in air and vacuum conditions to research the electrical properties and bonding structures during the annealing processes. ZnO film annealed in atmosphere formed a crystal structure owing to the suppression of oxygen vacancies: however, ZnO annealed in vacuum had an amorphous structure after annealing because of the increment of the content of oxygen vacancies. Schottky contact was observed for the ZnO annealed in an air. O 1s spectra with amorphous structure was found to have a value of 529 eV; that with a crystal structure was found to have a value of 531.5 eV. However, it was observed in these results that the correlation between the electronic characteristics and the bonding structures was weak.

• Transactions on Electrical and Electronic Materials
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• 제14권6호
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• pp.329-333
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• 2013

SiOC films were prepared by capacitively coupled plasma chemical vapor deposition, and the correlation between the binding energy by X-ray photoelectron spectroscopy and Arrhenius equation for ionization energy was studied. The ionization energy decreased with increase of the potential barrier, and then the dielectric constant also decreased. The binding energy decreased with increase of the potential barrier. The dielectric constant and electrical characteristic of SiOC film was obtained by Arrhenius equation. The dielectric constant of SiOC film was decreased by lowering the polarization, which was made from the recombination between opposite polar sites, and the dissociation energy during the deposition. The SiOC film with the lowest dielectric constant had a flat surface, which depended on how carbocations recombined with other broken bonds of precursor molecules, and it became a fine cross-linked structure with low ionization energy, which contributed to decreasing the binding energy by Si 2p, C 1s electron orbital spectra and O 1s electron orbital spectra. The dielectric constant after annealing decreased, owing to the extraction of the $H_2O$ group, and lowering of the polarity.

• 산업진흥연구
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• 제1권1호
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• pp.1-6
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• 2016

산화물반도체의 결정질특성과 비정질특성을 이해하기 이하여 AZO 박막과 IGZO 박막을 증착하고 열처리하여 물리적 화학적인 특성을 비교하였다. AZO 박막은 열처리온도가 올라갈수록 결정성이 높아졌으나 IGZO 박막은 열처리온도가 높을수록 비정질특성이 우수하였다. AZO 박막은 열처리에 따라서 PL, XPS 분석에서 화학적 이동이 나타났으나 IGZO 박막은 화학적 이동이 나타나지 않았다. AZO의 O 1s 결합 에너지는 531.5 eV였으며, IGZO 박막은 530 eV으로 낮았다.

• 광물과 암석
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• 제34권2호
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• pp.121-131
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• 2021

마그네슘(magnesium; Mg)은 탄산염 광물이 침전된 과거의 환경 조건을 유추하기 위한 지화학 지시자로 활용되어오고 있다. Mg를 신뢰도 높은 지화학 지시자로 활용하기 위해서는 Mg의 화학종을 근거로 한 Mg의 광물 함유 기작이 반드시 규명되어야만 하며, 관련 실험 연구들은 주로 고해상도(high resolution)의 방사광가속기(synchrotron) X-선 흡수 분광(X-ray absorption spectroscopy; XAS) 기법을 통해 Mg의 화학종을 유추한다. 그러나, Mg가 미량 함유된 광물의 XAS 스펙트럼 해석의 높은 불확실성 때문에 화학종 유추가 어려운 경우가 많다. 양자역학 밀도범함수이론(density functional theory; DFT)은 결정구조에 대한 흡수 스펙트럼을 예측할 수 있기 때문에, XAS 스펙트럼 해석의 불확실성을 줄일 수 있다. 이번 논문에서는 DFT 기반의 제일원리 내각 준위 분광법(ab initio core-level spectroscopy method)을 통해 Mg 규산염 및 (수)산화광물에 대한 Mg K-edge 흡수 스펙트럼을 계산하여 Mg의 배위 결합 환경을 나타내는 구조 인자와의 상관관계를 분석하였다. 계산 결과, DFT 계산으로 얻은 Mg 규산염 및 (수)산화물의 이론 Mg K-edge 흡수 스펙트럼은 기존 XAS 실험으로 얻어진 스펙트럼의 주요 형태를 상당 부분 재현해낼 수 있었다. 계산으로 얻은 광물의 제일원리 Mg K-edge 흡수 스펙트럼의 흡수-끝(absorption edge)과 평균 Mg-O 결합거리 및 Mg 유효배위수를 비교 분석한 결과, 약한 양의 상관관계를 보여주었다. 이번 연구 결과는 DFT 계산이 다양한 광물 내 Mg의 화학종에 대한 표준 스펙트럼 세트를 제공할 수 있는 강력한 도구임을 보여주며, 추후 탄산염 광물에 함유된 정확한 Mg의 화학종을 동정하는데 DFT 계산이 큰 역할을 할 수 있음을 제시한다.

• 한국산학기술학회논문지
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• 제13권3호
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• pp.1279-1283
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• 2012

탄소 주입 실리콘산화박막은 ICP-CVD에 의하여 dimethyldimethoxysilane를 이용하여 증착하였다. 화학적 변화와 광학적 변화에 대하여 관찰하기 위해서 FTIR, 스펙트라 포토미터 그리고 엘립소미터를 이용하였다. SiOC 박막의 결합구조는 증착과정에서 형성되고 열처리과정을 통하여 접착도가 증가된다. SiOC 박막은 알킬기와 수산기 사이의 화학적인 반응에 의해서 분극이 감소되고 비정질도는 증가된다. FTIR에서 950 cm-1 이하의 영역에서 알킬기와 수산기에 따른 분극의 특성에 따라서 FTIR 픽의 모양이 두가지로 다르게 나타났다. 분극이 가장 낮은 샘플에서 굴절률은 증가하였고 두께는 감소하는 특성을 관찰할 수 있었다.