• Electrical & Electronic Materials
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• v.10 no.2
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• pp.105-112
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• 1997

Undoped and Co$^{2+}$-doped Zn$_{4}$GeSe$_{6}$ single crystals were grown by the Chemical Transport Reaction method using iodine as a transporting agent. The crystal structure of these compounds determined by X-ray diffraction analysis was monoclinic structure. The direct energy gaps of these compounds were measured and the temperature dependence of the optical energy gap were closely investigated over the temperature range 10-290K. The temperature dependence of the optical energy gap is well presented by the Varshni equation. Also the optical absorption peaks of Zn$_{4}$GeSe$_{6}$ :Co$^{2+}$ single crystal observed, centered at 5437, 6079, 7142, 12950, 13462, 14786 and 15735 $cm^{-1}$ /, can be explained in terms of the electronic transitions of Co$^{2+}$ ions located at Td symmetry of the host materials. According to the crystal-field theory, the crystal-field, Racah and spin-orbit coupling parameters obtained from the absorption bands are given by Dq = 361$cm^{-1}$ /, B = 655$cm^{-1}$ / and .lambda. = 284$cm^{-1}$ / respectively.ively.

• Journal of the Korean Magnetic Resonance Society
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• v.15 no.1
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• pp.14-24
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• 2011

We have performed Liquid Chromatography-Solid Phase Extraction-NMR (LC-SPE-NMR) analysis for liquid crystalline mixture and elucidated the structures of selected components by NMR spectra. Combining the results of one-dimensional 1H experiments as well as homonuclear and heteronuclear two-dimensional experiments, we could analyze the molecular structure of the liquid crystal singles whose structure had not been interpretable by mass spectrometry alone.

• Bulletin of the Korean Chemical Society
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• v.16 no.9
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• pp.823-826
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• 1995

The crystal structure of a sulfur sorption complex of the dehydrated partially Co2+ exchanged zeolite A (a=12.058(2) Å) has been determined by single-crystal X-ray techniques. The crystal structure was solved and refined in cubic space group Pm3m at 21(1) ℃. Ion Exchange with aqueous 0.05 M Co(NO3)2 was done by the static method. The crystal of Na4Co4-A was dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days, followed by exposure to about 100 Torr of sulfur at 330 ℃ for 72 h. Full matrix least-squares refinement converged to R1=0.084 and Rw=0.074 with 102 reflections for which I > 3σ(I). Crystallographic analysis shows that 2.8 Co2+ ions and 4 Na+ ions per unit cell occupy 6-ring sites on the threefold axes. 1.2 Co2+ ions occupy the 8-ring sites on fourfold axes. 2.8 Co2+ ions at Co(1) are recessed 0.66 Å into the large cavity and 4 Na+ ion at Na(1) are recessed 0.77 Å into the sodalite cavity from the (111) plane of O(3)'s. Approximately 16 sulfur atoms were sorbed per unit cell. Two S8 rings, each in a butterfly form, are found in the large cavity. The bond length between S and its adjacent S is 2.27(3) Å. The distance between 6-ring Co2+ ion and its adjacent sulfur is 2.53 (2) Å and that between 8-ring Co2+ ions and its adjacent sulfur is 2.72(9) Å. The angles of S-S'-S and S'-S-S'/ in octasulfur rings are 119.0(2)°and 113.0(2)°, respectively.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1999.06a
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• pp.167-185
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• 1999

In the present paper, KLN crystals have been grown along <001>, <100> and <110> directions by the top seeded solution growth (TSSG) method from Li-richer melts with different compositions. The morphologies of KLN crystals grown along different directions have been studied, and the well-developed facets have been unambiguously indexed using X-ray goniometer and stereographic projection analysis. The growth mechanism and defects such as cracks and inclusions were discussed on the basis of observations of facets on the crystal-melt interfaces. The crystal compositions were determined by chemical analysis method. The structure and lattice constants of KLN crystals were determined and calculated on the basis of XRD data by using TREOR90 and PIRUM programs. The Curie temperature and optical absorption were determined by dielectric constant peak and spectrum measurements, respectively. The blue SHG characteristics of a KLN sample were also investigated using a pulsed dye laser. PACS: 42.70.M;81.10;81.10A;42.65.K.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.9 no.4
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• pp.396-401
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• 1999

In the present paper, potassium lithium niobate(KLN) crystals have been grown along <001>, <100> and <110> directions by the top seeded solution growth (TSSG) method from Li-richer melts with different compositions. The morphologies of KLN crystals grown along different directions have been studied, and the well-developed facets have been unambiguously indexed using X-ray goniometer and stereographic projection analysis. The growth mechanism and defects such as cracks and inclusions were discussed on the basis of observations of facets on the crystal-solution interfaces. The crystal compositions were determined by a chemical analysis method. The structure and lattice constants of KLN crystals were determined and calculated on the basis of XRD data by using TREOR90 and PIRUM programs. The Curie temperature and optical absorption were determined by dielectric constant peak and spectrum measurements. respectively. The blue second harmonic generation (SHG) characteristics of KLN sample were also investigated using a pulsed dye laser.

• Applied Microscopy
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• v.45 no.4
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• pp.203-207
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• 2015

Sample preparation is very important for crystal structure analysis of novel nanostructured materials in electron microscopy. Generally, a grid dispersion method has been used as transmission electron microscope (TEM) sampling method of nano-powder samples. However, it is difficult to obtain the cross-sectional information for the tabular-structured materials. In order to solve this problem, we have attempted a new sample preparation method using focused ion beam. Base on this approach, it was possible to successfully obtain the electron diffraction patterns and high-resolution TEM images of the cross-section of tabular structure. Finally, we were able to obtain three-dimensional crystallographic information of novel zeolite nano-crystal of the tabular morphology by applying the new sample preparation technique.

• Applied Microscopy
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• v.21 no.2
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• pp.67-75
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• 1991

[ $C_{60}$ ] molecule, the Buckminsterfullerene, has generated great interest because of its unique molecular structure and of superconductivity exhibited in its alkali-doped solids. We have investigated the molecular stacking and crystal structure of $C_{60}$ thin crystals formed on amorphous carbon film. The $C_{60}$ powder which was chromatographically purified was dissolved in benzene. The thin crystals of $C_{60}$ were observed with a 300 keV transmission electron microscope. Electron diffraction analysis and direct imaging of its molecular stacking were carried out. It was found from this work that the molecules of $10.0{\AA}$ diameter are arrayed hexagonally on substrate surface and $8.7{\AA}$ lattice planes are quite often found in several types of ED patterns, which can never be explained with a fcc model. Therefore the structure of $C_{60}$ thin crystals is hcp, although we cannot fully exclude the possibility of co-existence of hcp and fcc.

• Proceedings of the KAIS Fall Conference
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• 2011.05a
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• pp.147-150
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• 2011

A copper-based metal organic framework (MOF) named Cu-BTC, also known as HKUST-1, was successfully synthesized by using a solvothermal method. The properties of the Cu-BTC sample were characterized with Powder X-ray diffraction (XRD) for phase structure, Thermogravimetric analysis (TGA) for thermal stability, Scanning electron microscopy (SEM) for crystal structure, and Nitrogen adsorption-desorption for pore textural structure. The analysis results displayed that the Cu-BTC sample exhibited a good crystal structure with uniform size of octahedral particles. The BET data revealed a high surface area of $1457 \;m^2g^{-1}$ and a pore volume of $0.60\; cm^3g^{-1}$. The Cu-BTCs ample was also studied for $CO_2$ adsorption and exhibited a maximum $CO_2$ adsorption capacity of 170 mg/g of the sorbent (3.8 mol/kg) at $25^{\circ}C$.

• Journal of the Korean Society of Radiology
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• v.9 no.2
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• pp.73-77
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• 2015

In order to observe the detailed structure of the detector, it was CT scanned to reproduce the detailed structure of the crystal shapes and traverse layer using the Monte Carlo calculation applying the detector model. The uncertainty of measurement was lowered by adjusting the detector core by the edge effect at a higher energy (400 keV or higher) through the offset of peak efficiency of the gamma ray at low energy. It was confirmed that there was the appropriate matching with spatial dependency using the PENELOPE calculation. That was achieved by adjusting the parameters describing the crystal core and rounding of edge and crystal core.

• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1539-1544
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• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.