• Bulletin of the Korean Chemical Society
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• v.25 no.3
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• pp.373-376
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• 2004

A novel Er(III) complex with oxydiacetate and 1,10-phenanthroline was synthesized and its structure and luminescence properties were characterized. The complex of $[Er(ODA){\cdot}(phen){\cdot}4H_2O]^+$ crystallizes in the monoclinic space group $P2_1$/n with a = 12.216(4) ${\AA}$, b = 16.680(2) ${\AA}$, c = 12.627(3) ${\AA}$, ${\beta}=108.30(2)^{\circ}$, V = 2442.7(11) ${\AA}^3$, Z = 4 and ${\rho}=1.841 g/cm^3$. When the complex is excited at the He-Cd 325-nm line, it produces two broad bands spanning the regions 350-650 nm and 1200-1650 nm. The emission band of the complex is characterized by a series of spectral dips in the visible emission profile. The complex exhibits sensitized near- IR emission via two kinds of energy transfers from phen to Er(III): nonradiative and radiative energy transfers.

• Transactions on Electrical and Electronic Materials
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• v.14 no.6
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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.

• Journal of the Korean earth science society
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• v.18 no.6
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• pp.553-558
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• 1997

Colorless and transparent cubic zirconia($Zr_{0.73}Y_{0.27}O_{1.87}$) crystal has been synthesized by the Bridgman-Stock-bager method(also called Skull melting method). $Y_2O_3$ is used as stabilizer. The crystal shows a vitreous luster with a slight oily appearance. Under a polarizing microscope, it shows isotropic nature with no appreciable anisotropism. Mohs hardness value is measured to be $8{\sim}8\frac{1}{2}$ and specific gravity 5.85. Under ultraviolet light it shows a faint white glow. The crystal structure of yttria stabilized zirconia was determined, using single crystal X-ray diffraction techniques to be a cubic symmetry, space group $Fm\overline{3}m({O^5}_h)$ with $a=5.1552(5){\AA}$, $V=136.99(5){\AA}^3$, Z=4, and R=0.0488 for 29 unique reflections. Each zirconium atom is at the center of eight oxygen atoms situated at the corners of a surrounding cube and each oxygen atom is at the center of a tetrahedron of zirconium atoms. So a coordination of 8:4 holds in the structure.

• Journal of Electrochemical Science and Technology
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• v.15 no.3
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• pp.421-426
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• 2024

Ru dye (Z-907) is a crucial photosensitizing material in dye-sensitized solar cells (DSSCs). To enhance the utilization of Ru dye's photosensitizing properties in bulk heterojunction solar cells, a method was developed to synthesize phenyl-C61-butyric acid methyl ester (PCBM) nanoparticles that are chemically linked to Ru dye. PCBM contains a methoxy (-OCH₃) group, whereas Ru dye incorporates a carboxyl group (-COOH) within its molecular structure. By exploiting these complementary functional groups, a successful bond between Ru dye and PCBM was established through an anhydride functional group. The coupling of PCBM with Ru dye results in a modification of the energy levels, yielding lower LUMO (3.8 eV) and HOMO (6.1 eV) levels, compared with the LUMO (3.0 eV) and HOMO (5.2 eV) levels of Ru dye alone. This configuration potentially facilitates efficient electron transfer from Ru dye to PCBM, alongside promoting hole transfer from Ru dye to the conducting polymer. Consequently, the bulk heterojunction solar cells incorporating this Ru dye-PCBM configuration demonstrate superior performance, with an open circuit voltage (V_oc) of 0.62 V, short circuit current (J_sc) of 0.63 mA cm^-2, fill factor (FF) of 65.6%, and a photovoltaic conversion efficiency (η) of 0.25%.

• Journal of the Korean institute of surface engineering
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• v.57 no.3
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• pp.214-220
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• 2024

In this study, three-dimensional (3D) networks structure using single-walled carbon nanotubes (SWCNTs) for Si-graphite composite electrode was developed and studied about effects on the electrochemical performances. To investigate the effect of SWCNTs on forming a conductive 3D network structure electrode, zero-dimensional (0D) carbon black and different SWCNTs composition electrode were compared. It was found that SWCNTs formed a conductive network between nano-Si and graphite particles over the entire area without aggregation. The formation of 3D network structure enabled to effective access for lithium ions leading to improve the c-rate performance, and provided cycle stability by alleviating the Si volume expansion from flexibility and buffer space. The results of this study are expected to be applicable to the electrode design for high-capacity lithium-ion batteries.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.28 no.3A
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• pp.323-330
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• 2008

The ship collision analysis of steel pile group as protection system of bridge in navigable waterways was performed to analyze the structural characteristics of protective structure during ship collision. The analysis encompassed finite element modeling of ship and pile, modeling of material non-linearity, hard impact analysis, displacement-based analysis and soft impact analysis for collision scenarios. Through the analysis of hard impact with a rigid wall, impact load for each collision type of ship bow was estimated. In the displacement-based analysis the estimate of energy which protection system can absorb within its maximum horizontal clearance so as to secure bridge pier from vessel contact during collision was performed. Soft impact analysis for various collision scenarios was conducted and the collision behaviors of vessel and pile-supported protection system were reviewed for the design of protection system. The understanding of the energy dissipation mechanism of pile supported structure and colliding vessel would give us the optimized design of protective structure.

• International Journal of High-Rise Buildings
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• v.5 no.1
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• pp.43-50
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• 2016

The reinforced-concrete multi-story shear-wall structure, which can free a building from beams and columns to allow the planning of a vast room, has increasingly been used in Japan as a high-rise reinforced-concrete structure. Since this structural system concentrates the seismic force onto multi-story shear walls inside, the bending deformation of the walls may cause excessive deformation on the upper floors during an earthquake. However, it is possible to control the bending deformation to within a certain level by setting high-strength and rigid beams (outriggers) at the top of the multi-story shear walls; these outriggers restrain the bending behavior of the walls. Moreover, it is possible to achieve high energy dissipation by placing vibration control devices on the outriggers and thus restrain the bending behavior. This paper outlines the earthquake response analysis of a high-rise residential tower to demonstrate the effectiveness of the outrigger frame incorporating vibration control devices.

• Applied Chemistry for Engineering
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• v.23 no.6
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• pp.539-545
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• 2012

3-(2-benzotriazolovinyl)thiophene (BVT) was synthesized by the connection of the thiophene with the electron-withdrawing group, benzotriazole, through the vinylene. Its structure was confirmed by FT-IR, $^1H$-NMR, $^{13}C$-NMR and 2D hetero-cosy spectroscopy. Both BVT and 3-octylthiophene (OT) were copolymerized and showed an average molecular weight of 12000 (PDI 2.67) and 15000 (PDI 2.55), respectively. The copolymers were dissolved in the organic solvent such as chloroform, THF, TCE, etc. The mole ratios of BVT and OT in the synthesized copolymers were confirmed as 1 : 1.8 and 1 : 2.8 from $^1H$-NMR spectra. The UV-vis maximum absorption of copolymers appeared at the wavelength of 470 nm and 465 nm and the photoluminescence at ${\lambda}_{max}$ = 662 nm and 641 nm correspond to red-orange light. The band gaps of copolymers at 1.96 eV and 2.02 eV were found to be higher than those of poly(3-octylthiophene). The HOMO energy levels of the copolymers decreased overall in comparison with those of poly(3-octylthiophene), but the overall LUMO energy level increased.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2343-2353
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• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

• Applied Biological Chemistry
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• v.32 no.2
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• pp.170-177
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• 1989

In order to seek the molecular basis of higher insecticidal activity of the carbamates with two methyl groups, m-xylyl-N-methylcarbamate(MXNMC) than the corresponding unsubstituted phenyl N-methylcarbamate(PNMC), these two derivatives have been studied by molecular orbital(MO) theoretically using extended $H\ddot{u}ckel$ theory(EHT), and analysis of regression and linear free energy relationship(LFER). The most stable stereo structure(Z, Z) shows that the phenyl group occupies vertical(${\theta}=90^{\circ}$) position on the plane of the N-methylcarbamyl group. Regression analysis shows that especially good correlation exists between the $pI_{50}$ values and the calculated MO quantities when the hydrogen atomic charge of metaposition and of m-methyl groups, and LUMO energy are taken as variables. The LFER analysis on the carbamylation indicates that field(F) effect(60%) is slightly larger than resonance(R) effect(40%) in PNMC(E>R), whereas, in case of MXNMC, R effect(98.6%) is much larger than F effect(1.4%)($R{\gg}F$). From the basis on the findings, the enhancement of insecticidal activity of MXNMC may be the result of hyperconjugation by m-methyl groups.