• Title/Summary/Keyword: Raman Analysis

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Intermolecular Hydrogen Bonding and Vibrational Analysis of N,N-Dimethylformamide Hexamer Cluster

  • Park, Sun-Kyung;Min, Kyung-Chul;Lee, Choong-Keun;Hong, Soon-Kang;Kim, Yun-Soo;Lee, Nam-Soo
    • Bulletin of the Korean Chemical Society
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    • v.30 no.11
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    • pp.2595-2602
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    • 2009
  • Hexamer cluster of N,N-dimethylformamide(DMF) based on the crystal structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties in the density functional force field. The geometry (point group $C_i$) of fully optimized hexamer clustered DMF shows quite close similarity to the crystal structure weakly intermolecular hydrogen bonded each other. Stretching force constants for intermolecular hydrogen bonded methyl and formyl hydrogen atoms with nearby oxygen atom, methyl C–H${\cdots}$O and formyl C–H${\cdots}$O, were obtained in 0.055 $\sim$ 0.11 and $\sim$ 0.081 mdyn/$\AA$, respectively. In-plane bending force constants for hydrogen bonded methyl hydrogen atoms were in 0.25 $\sim$ 0.33, and for formyl hydrogen $\sim$ 0.55 mdynÅ. Torsion force constants through hydrogen bonding for methyl hydrogen atoms were in 0.038 $\sim$ 0.089, and for formyl hydrogen atom $\sim$ 0.095 mdynÅ. Calculated Raman and infrared spectral features of single and hexamer cluster represent well the experimental spectra of DMF obtained in the liquid state. Noncoincidence between IR and Raman frequency positions of stretching C=O, formyl C–H and other several modes was interpreted in terms of the intermolecular vibrational coupling in the condensed phase.

Effect of manufacturing and dispersion of zinc crystalline glaze on crystal formation (아연 결정유약의 제조 및 분산이 결정생성에 미치는 영향)

  • Lee, Chiyoun
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.31 no.6
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    • pp.240-246
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    • 2021
  • In the ceramic industry, a drastic decrease in crystalline formation was found even among the glazes well known for their high crystalline productivity when the ceramic glaze was stored in wet conditions over a period. This study aimed to investigate the reason for decreasing willemite crystals during storage. As the starting materials ZnO, calcined ZnO and frit 3110 are selected; the composition for zinc crystalline glazes was set through a three-component system with the materials. The firing condition was used from previous studies. The study was observed how wet conditions affected the crystallization of zinc crystalline glazes from a day to 24 weeks. The results were obtained by particle size analysis, XRD, Raman spectroscopy and SEM analysis. The results indicated that ZnO is advantageous in terms of willemite crystalline development and growth; however, Zn(OH)2 cluster, formed by the reaction with water during the storage, caused the decrease in ZnO level in the glaze. The reduction of ZnO in the glaze eventually interfered the willemite development and growth.

Nano-thick Nickel Silicide and Polycrystalline Silicon on Polyimide Substrate with Extremely Low Temperature Catalytic CVD (폴리이미드 기판에 극저온 Catalytic-CVD로 제조된 니켈실리사이드와 실리콘 나노박막)

  • Song, Ohsung;Choi, Yongyoon;Han, Jungjo;Kim, Gunil
    • Korean Journal of Metals and Materials
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    • v.49 no.4
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    • pp.321-328
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    • 2011
  • The 30 nm-thick Ni layers was deposited on a flexible polyimide substrate with an e-beam evaporation. Subsequently, we deposited a Si layer using a catalytic CVD (Cat-CVD) in a hydride amorphous silicon (${\alpha}$-Si:H) process of $T_{s}=180^{\circ}C$ with varying thicknesses of 55, 75, 145, and 220 nm. The sheet resistance, phase, degree of the crystallization, microstructure, composition, and surface roughness were measured by a four-point probe, HRXRD, micro-Raman spectroscopy, FE-SEM, TEM, AES, and SPM. We confirmed that our newly proposed Cat-CVD process simultaneously formed both NiSi and crystallized Si without additional annealing. The NiSi showed low sheet resistance of < $13{\Omega}$□, while carbon (C) diffused from the substrate led the resistance fluctuation with silicon deposition thickness. HRXRD and micro-Raman analysis also supported the existence of NiSi and crystallized (>66%) Si layers. TEM analysis showed uniform NiSi and silicon layers, and the thickness of the NiSi increased as Si deposition time increased. Based on the AES depth profiling, we confirmed that the carbon from the polyimide substrate diffused into the NiSi and Si layers during the Cat-CVD, which caused a pile-up of C at the interface. This carbon diffusion might lessen NiSi formation and increase the resistance of the NiSi.

Structural and radiological characterization of irradiated RBMK-1500 reactor graphite

  • Lagzdina, Elena;Lingis, Danielius;Plukis, Arturas;Plukiene, Rita;Germanas, Darius;Garbaras, Andrius;Garankin, Jevgenij;Gudelis, Arunas;Ignatjev, Ilja;Niaura, Gediminas;Krutovcov, Sergej;Remeikis, Vidmantas
    • Nuclear Engineering and Technology
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    • v.54 no.1
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    • pp.234-243
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    • 2022
  • This study aims to characterize the irradiated RBMK-1500 nuclear graphite in terms of both structural and radiological properties. The experimental results of morphological and structural analysis of the irradiated graphite samples by using SEM, Raman spectroscopy as well as the theoretical evaluation of primary displacement damage are presented. Moreover, the experimental and theoretical evaluation of the neutron flux is provided and the presence of several γ emitters in the analyzed graphite samples is assessed. Furthermore, the improved version of rapid analysis method for 14C activity determination is applied and the experimentally obtained results are compared with calculated ones. Results indicate that structural changes are uniform enough in all the analyzed samples. However, the distribution of radionuclides is non-homogeneous in the irradiated RBMK-1500 reactor graphite matrix. The comprehensive understanding of both structural and radiological characteristics of nuclear graphite is very important when dealing with decision about irradiated graphite waste management strategy or treatment options prior to its final disposal.

Novel Synthesis and Characterization of Pt-graphene/TiO2 Composite Designed for High Photonic Effect and Photocatalytic Activity under Visible Light

  • Ye, Shu;Oh, Won-Chun
    • Journal of the Korean Ceramic Society
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    • v.54 no.1
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    • pp.28-32
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    • 2017
  • The degradation of methyl blue (MB) catalyzed by platinum (Pt)-graphene/$TiO_2$ in dark ambiance was studied. Pt-graphene/$TiO_2$ composites were prepared by simple hydrothermal method. Characterizations of composites were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), specific surface area (BET) analysis, and energy dispersive X-ray (EDX) analysis. UV-spectroscopic analysis of the dyes was performed by measuring the change in absorbance. The degradation of the organic dyes was calculated based on the decrease in concentration of the dyes with respect to regular time intervals. Rate coefficients for the catalytic process were successfully established and reusability tests were performed to test the stability of the used catalysts.

Label-free NanoBio Imaging for New Biology and Medical Science

  • Moon, Dae Won
    • Applied Science and Convergence Technology
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    • v.24 no.6
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    • pp.203-214
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    • 2015
  • We have been developing a new label-free nanobio imaging platform using non-linear optics such as Coherent Anti-Stokes Raman Spectroscopy (CARS) and ion beam techniques based on sputtering and scattering such as Secondary Ion Mass Spectrometry (SIMS) and Medium Energy Ion Scattering Spectroscopy (MEIS), which have been widely used for atomic and molecular level analysis of semiconductors and nanomaterials. To apply techniques developed for semiconductors and nanomaterials for biomedical applications, the convergence of nano-analysis and biology were tried. Our activities on label-free nanobio imaging during the last decade are summarized in this review about non-linear optical 3D imaging, ellipsometric interface imaging, SIMS imaging, and TOF-MEIS nano analysis for cardiovascular tissues, collagen thin films, peptides on microarray, nanoparticles, and cell adhesion studies and finally the present snapshot of nanobio imaging and the future prospect are described.

Hot stage microscopy and its applications in pharmaceutical characterization

  • Arun Kumar;Pritam Singh;Arun Nanda
    • Applied Microscopy
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    • v.50
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    • pp.12.1-12.11
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    • 2020
  • Hot stage microscopy (HSM) is a thermal analysis technique that combines the best properties of thermal analysis and microscopy. HSM is rapidly gaining interest in pharmaceuticals as well as in other fields as a regular characterization technique. In pharmaceuticals HSM is used to support differential scanning calorimetry (DSC) and thermo-gravimetric analysis (TGA) observations and to detect small changes in the sample that may be missed by DSC and TGA during a thermal experiment. Study of various physical and chemical properties such sample morphology, crystalline nature, polymorphism, desolvation, miscibility, melting, solid state transitions and incompatibility between various pharmaceutical compounds can be carried out using HSM. HSM is also widely used to screen cocrystals, excipients and polymers for solid dispersions. With the advancements in research methodologies, it is now possible to use HSM in conjunction with other characterization techniques such as Fourier transform infrared spectroscopy (FTIR), DSC, Raman spectroscopy, scanning electron microscopy (SEM) which may have additional benefits over traditional characterization techniques for rapid and comprehensive solid state characterization.

A Hierarchical Cluster Tree Based Fast Searching Algorithm for Raman Spectroscopic Identification (계층 클러스터 트리 기반 라만 스펙트럼 식별 고속 검색 알고리즘)

  • Kim, Sun-Keum;Ko, Dae-Young;Park, Jun-Kyu;Park, Aa-Ron;Baek, Sung-June
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.20 no.3
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    • pp.562-569
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    • 2019
  • Raman spectroscopy has been receiving increased attention as a standoff explosive detection technique. In addition, there is a growing need for a fast search method that can identify raman spectrum for measured chemical substances compared to known raman spectra in large database. By far the most simple and widely used method is to calculate and compare the Euclidean distance between the given spectrum and the spectra in a database. But it is non-trivial problem because of the inherent high dimensionality of the data. One of the most serious problems is the high computational complexity of searching for the closet spectra. To overcome this problem, we presented the MPS Sort with Sorted Variance+PDS method for the fast algorithm to search for the closet spectra in the last paper. the proposed algorithm uses two significant features of a vector, mean values and variance, to reject many unlikely spectra and save a great deal of computation time. In this paper, we present two new methods for the fast algorithm to search for the closet spectra. the PCA+PDS algorithm reduces the amount of computation by reducing the dimension of the data through PCA transformation with the same result as the distance calculation using the whole data. the Hierarchical Cluster Tree algorithm makes a binary hierarchical tree using PCA transformed spectra data. then it start searching from the clusters closest to the input spectrum and do not calculate many spectra that can not be candidates, which save a great deal of computation time. As the Experiment results, PCA+PDS shows about 60.06% performance improvement for the MPS Sort with Sorted Variance+PDS. also, Hierarchical Tree shows about 17.74% performance improvement for the PCA+PDS. The results obtained confirm the effectiveness of the proposed algorithm.

Analysis of Characterization on Ancient Ink Stick (고대 먹의 특성 분석)

  • Nam, Tae-Gwang;Shin, Soo-Jeong;Park, Won-Kyu;Kim, Byung-Ro
    • Journal of Conservation Science
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    • v.28 no.2
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    • pp.165-173
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    • 2012
  • In this work, scientific and systematic analysis was conducted for finding out the methods and techniques of ancient ink stick making. Analysis the ancient ink stick on ancient documents and wooden writing as letter or painting, we concluded as followings. From the analysis of ancient wood by dendrochronology, wood was cut at 1899, which provided the information on the year of ink stick's made on writing on ancient wood. Single particle size for soot of ancient ink stick was 107 nm for ink on the roof-filling timber in Sinsunwonjeon of Changdeok Palace, compared to 38 to 86 nm on the letter on ancient 12 paper document. Aggregate particle size was 370 nm for ink on the roof-filling timber in Sinsunwonjeon of Changdeok Palace, but 206 to 318 nm for aggregate particle size on 12 paper documents. There was similar pattern between single particle size and aggregate particle size of soot, which might provide the information of raw material for ancient ink. From infra-red and Raman spectroscopic analysis of sheet of writing on paper or wood, there was severe interference from background material (paper or wood). From Raman spectroscopic analysis of ancient ink carefully separated from ancient wood, spectrum pattern was closer to ink stick made by the soot from pine burning.

A Study on the Dispersion Characteristics of Carbon Nanotubes using Cryogenic Ball Milling Process (극저온 볼밀링 공정을 이용한 탄소나노튜브의 분산특성 연구)

  • Lee, Ji-Hoon;Rhee, Kyong-Yop
    • Journal of the Korean Society for Precision Engineering
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    • v.27 no.7
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    • pp.49-54
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    • 2010
  • The cryogenic ball milling was performed on carbon nanotubes (CNTs) at an extremely low temperature to increase the dispersion of CNTs. The effects of milling speed and time on the deagglomeration and structural changes of CNTs were studied. FESEM was used to analyze the dispersion and the change of particle size before and after milling process. Transmission electron microscopic (TEM) analysis was also investigated the effect of cryogenic ball milling on the morphological characteristics of CNTs. The structural changes by the cryogenic ball milling process were further confirmed by x-ray diffraction (XRD) and Raman spectroscopic analysis. The results showed that the agglomeration of CNTs was significantly reduced and amorphous structure was observed at high milling speed. However, the milling time has no great effect on the dispersion property and structural change of CNTs compared with milling speed.