• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.195-200
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• 2002

Fluorescence excitation spectrum of the trans.trans-1,3,5,7-octatetraene(OT)-Xe van der Waals clusters formed in supersonic jet expansions has been obtained. The transition lines corresponding to the van der Waals cluters of OT with Xe are observed in the lower frequency side of the OT band origin. Based on the spectral shifts, fluorescence lifetimes, and concentration dependence of the peak intensities, most of the transition lines are assigned to the $OT-Xe_n$ (n = 1, 2, 3, 4) clusters. Long progressions of a van der Waals vibrational mode are observed for n = 1, 2, 3 and 4 clusters and assigned to rocking of the OT moiety with respect to the Xe atom with the help of ab initio quantum mechanical calculation.

• Journal of the Korean Society of Manufacturing Process Engineers
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• v.8 no.2
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• pp.10-17
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• 2009

Transillumination system used by radiation is widely applied to industrial imaging system. In this study, the linear detector array constructed with scintillator and pin diode, and a multi-channel data acquisition system was developed for precision inspection of end-milling. The detector module consists of $16-CdWO_4$crystal scintillator and photodiode array. The detector and data acquisition system was applied to precision inspection of end-mill and the images of the end-mill were successfully reconstructed. The total system can analyze the Detector Quantum Efficiency(DQE) of each system. The performance of developed photodiodes equipment was compared with each other for different crystal geometry and its characteristics. Finally fine details of the end-mill phantom were constructed for industrial application. The image acquired contains several objects on a real time data transfer and the linear X-ray scanning system can be applied to many fields of a industry.

• Korean Journal of Materials Research
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• v.18 no.11
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• pp.571-576
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• 2008

The simulation program for solar cells, PC1D, was briefly reviewed and the device modeling of a multicrystalline Si solar cell using the program was carried out to understand the internal operating principles. The effects of design parameters on the light absorption and the quantum efficiency were investigated and strategies to reduce carrier recombination, such as back surface field and surface passivation, were also characterized with the numerical simulation. In every step of the process, efficiency improvements for the key performance characteristics of the model device were determined and compared with the properties of the solar cell, whose efficiency (20.3%) has been confirmed as the highest in multicrystalline Si devices. In this simulation work, it was found that the conversion efficiency of the prototype model (13.6%) can be increased up to 20.7% after the optimization of design parameters.

• 한국정보디스플레이학회:학술대회논문집
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• 2007.08b
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• pp.1425-1428
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• 2007

The amorphous IZO on flexible substrate (PC) shows similar electrical conductivity and optical transmittance with commercial ITO glass even though it was prepared at $<50\;^{\circ}C$. Moreover, it exhibits little resistance change during 5000 bending cycles, demonstrating good mechanical robustness. A green phosphorescent OLED fabricated on amorphous IZO on flexible PC shows maximum external quantum efficiency of ${\eta}_{ext}=13.7\;%$ and power efficiency of ${\eta}_p=32.7\;lm/W$, which are higher than a device fabricated on a commercial ITO on glass (${\eta}_{ext}=12.4%$ and ${\eta}_p=30.1\;lm/W$) and ITO on flexible PC (${\eta}_{ext}=8.5%$ and ${\eta}_p=14.1\;lm/W$).

• Korean Journal of Optics and Photonics
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• v.7 no.4
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• pp.357-362
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• 1996

The thickness and the spectrum of the complex refractive index in the region 1.5~4.5 eV, of an MNA/PMMA thin film fabricated by spin casting are determined. The film thickness and the refractive index in its transparent region is calculated by modeling the spectroscopic ellipsometry data. The extinction coefficient spectrum is obtained from the absorption spectrum in its non-transparent region. The best fit oscillator parameters of the classical Lorentz oscillator and a quantum mechanical oscillator are found. The complex refractive index spectrum by these oscillators are compared. The present technique can be applied to get the thickness and the complex refractive index of unknown polymer films and thus it will be useful in optical characterization of those films.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2151-2157
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• 2010

Spectroscopic and quantum mechanical studies of the Et3PAuCl complex were performed to characterize the effect of aurophilicity on the optical properties. When excited with UV light at low temperature, the crystalline complex produced a deep luminescence in both the blue (high-energy) and red (low-energy) regions of the spectrum. The intensity of the low-energy luminescence was markedly reduced in the powdered state and quenched in the solution state. Time-dependent density functional theory (TD-DFT) calculations on electronic structures of both the ground and excited states of aggregates $[Et_3PAuCl]_n$ (n = 1 - 3) indicated that the low-energy luminescence was attributable to Au-centered transitions, which are significantly affected by aurophilic interactions. By contrast, the high-energy luminescence appeared to be independent of the state of the complex and was strongly associated with the charge transfer from Cl to Au.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2454-2458
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• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2175-2179
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• 2010

Quantum mechanical properties of unsymmetrical and unfunctionalized trans-stilbene derivatives 1-3, which had been prepared by solid-phase parallel syntheses, were characterized using mPW1PW91/6-311G(d,p) (hybrid HF-DF) calculations. The total electronic energies, normal vibrational modes, Gibbs free energies, and HOMOs and LUMOs of sixteen different structures from three different groups were analyzed. The energy differences between the HOMOs and LUMOs of the various unsymmetrical trans-stilbenes are in accord with the maximum absorption peaks of the experimental UV spectra of 1-3. The calculated normal vibrational modes of 21 were comparable with its experimental IR spectrum. The $\pi$-conjugation in the para-connected biphenyl group of 2 is better than the one in the metaconnected biphenyl group on the shorter side of 3.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4210-4214
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• 2011

Quasiclassical trajectory (QCT) calculations of Ne + ${H_2}^+$ reaction have been carried out on the adiabatic potential energy surface of the ground state $1^2$ A'. The reaction probability of the title reaction for J = 0 has been calculated, and the QCT result is consistent with the previous quantum mechanical wave packet result. Quasiclassical trajectory calculations of the four polarization-dependent differential cross sections have been carried out in the center of mass (CM) frame. The P(${\theta}_r$), P(${\phi}_r$) and P(${\theta}_r$, ${\phi}_r$) distributions, the k-k'-j' correlation and the angular distribution of product rotational vectors are presented in the form of polar plots. Due to the well in $1^2$ A' PES, the reagent vibrational excitation has greater influence on the polarization of the product rotational angular momentum vectors j' than the collision energy.

• Carbon letters
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• v.15 no.2
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• pp.77-88
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• 2014

Double walled carbon nanotubes (DWCNTs) are considered an ideal model for studying the coupling interactions between different concentric shells in multi-walled CNTs. Due to their intrinsic coaxial structures they are mechanically, thermally, and structurally more stable than single walled CNTs. Geometrically, owing to the buffer-like function of the outer tubes in DWCNTs, the inner tubes exhibit exciting transport and optical properties that lend them promise in the fabrication of field-effect transistors, stable field emitters, and lithium ion batteries. In addition, by utilizing the outer tube chemistry, DWCNTs can be useful for anchoring semiconducting quantum dots and also as effective multifunctional fillers in producing tough, conductive transparent polymer films. The inner tubes meanwhile preserve their excitonic transitions. This article reviews the synthesis of DWCNTs, their electronic structure, transport, and mechanical properties, and their potential uses.