• Journal of Microbiology and Biotechnology
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• v.17 no.7
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• pp.1098-1105
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• 2007

Quantum mechanical and molecular dynamics simulation analysis has been performed on the model system for CALB (Candida antarctica lipase B) with esters to study the reaction mechanism and conformational preference of catalytic hydrolysis and the esterification reaction. Using quantum mechanical analysis, the ping-pong bi-bi mechanism was applied and energies and 3-dimensional binding configurations of the whole reaction pathways were calculated. Further molecular dynamics simulation analysis was performed on the basis of the transition state obtained from quantum mechanical study to observe the effect of structures of the substrates. Calculation results using substrates of different chain length and chiral configurations were compared for conformational preference. The calculated results showed very small influence on chain length, whereas chiral conformation showed big differences. Calculated results from molecular modeling studies have been compared qualitatively with the experimental data using racemic mixtures of (${\pm}$)-cis-4-acetamido-cyclopent-2-ene-1-ethyl acetate as substrates.

• Journal of the Korean Ceramic Society
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• v.39 no.5
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• pp.517-522
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• 2002

In this study, the effect of the processing parameters in PVD process on the size and the distribution of deposited Si quantum dots was quantitatively investigated by computational simulation utilizing Monte Carlo method. The processing parameters, substrate temperature, deposition time, gas pressure and target-substrate distance were selected as variables since those parameters are often selected as variables in PVD experiments. It is predicted that the density of $1{\times}10^{12}cm^{-2}$ Si quantum dots can be deposited on the substrate when the deposition rate is 0.05 nm/sec at the substrate temperature of 490${\circ}$, deposition time of 7 sec, gas pressure of 3 mTorr and target-substrate distance of 8 cm.

• The Journal of Korean Institute of Communications and Information Sciences
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• v.19 no.3
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• pp.591-596
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• 1994

Threshold dependence on stripe width in gain-guided single quantum well lasers has been examined by complex domain effective index method. It is found, in narrow stripe regime, that the lateral optical confinement estimated by newly introduced parameters decreases very rapidly as the transverse optical confinement factor decreases. Thus, in a single quantum well laser with a usually very small, the optical confinement may become very poor depending on stripe width not only in the transverse but also in the lateral direction, further enhancing the gain saturation and often leading to an anomalously high threshold current. The understanding of rather anomalous threshold dependence on stripe width will be very important in optimization of quantum well laser diode structure.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2207-2211
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• 2011

Colloidal cadmium telluride (CdTe) quantum dots (QDs) and their nanoparticles have been synthesized by one pot sonochemical reactions under multibubble sonoluminescence (MBSL) conditions, which are quite mild and facile compared to other typical high temperature solution-based methods. For a typical reaction, $CdCl_2$ and tellurium powder with hexadecylamine and trioctylphosphine/trioctylphosphineoxide (TOP/TOPO) as a dispersant were sonicated in toluene solvent at 20 KHz and a power of 220W for 5-40 min at 60 $^{\circ}C$. The sizes of CdTe particles, in a very wide size range from 2 nm-30 ${\mu}m$, were controllable by varying the sonicating and thermal heating conditions. The prepared CdTe QDs show different colors from pale yellow to dark brown and corresponding photoluminescence properties due mainly to the quantum confinement effect. The CdTe nanoparticles of about 20 nm in average were found to have band gap of 1.53 eV, which is the most optimally matched band gap to solar spectrum.

• Korean Journal of Materials Research
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• v.17 no.9
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• pp.489-492
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• 2007

Temperature and injection current dependence of elctroluminescence(EL) spectral intensity of the $In_{0.27}Ga_{0.73}N/GaN$ multi-quantum-well(MQW) have been studied over a wide temperature and as a function of injection current level. EL peaks also show significant broadening into higher photon energy region with the increase of injection current. This is explained by the band-filling effect. When temperature is slightly increased to 300 from 15 K, the EL emission peak showed red-blue-red shift. It can be explained by the carrier localization by potential fluctuation of multiple quantum well and band-gap shrinkage as temperature increase. It is found that a temperature-dependent variation pattern of the EL efficiency under very low and high injection currents show a drastic difference. This unique EL efficiency variation pattern with temperature and current is explained field effects due to the driving forward bias in presence of internal(piezo and spontaneous polarization) fields.

• Bulletin of the Korean Chemical Society
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• v.34 no.2
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• pp.411-414
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• 2013

In order to enhance the photovoltaic property of the CdS/CdSe co-sensitized quantum dot sensitized solar cells (QDSSCs), the surface of nanoporous $TiO_2$ photoanode was modified by ultrathin $Al_2O_3$ layer before the deposition of quantum dots (QDs). The $Al_2O_3$ layer, dip-coated by 0.10 M Al precursor solution, exhibited the optimized performance in blocking the back-reaction of the photo-injected electrons from $TiO_2$ conduction band (CB) to polysulfide electrolyte. Transient photocurrent spectra revealed that the electron lifetime (${\tau}_e$) increased significantly by introducing the ultrathin $Al_2O_3$ layer on $TiO_2$ surface, whereas the electron diffusion coefficient ($D_e$) was not varied. As a result, the $V_{oc}$ increased from 0.487 to 0.545 V, without appreciable change in short circuit current ($J_{sc}$), thus inducing the enhancement of photovoltaic conversion efficiency (${\eta}$) from 3.01% to 3.38%.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.28 no.10
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• pp.676-681
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• 2015

Recently many studies being carried out to increase the light efficiency of LED. The external quantum efficiency of LED, generally the light efficiency, is determined by the internal quantum efficiency and the light extraction efficiency. The internal quantum efficiency of LED was already reached to more than 90%, but the light extraction efficiency is still insufficient compared with the internal quantum efficiency because the total internal reflection is generated in the interface between the LED chip and air. Thus, we studied about flip chip LED with PSS and performed the optical simulation which find more optimized PSS for flip chip LED to increase the light extraction efficiency. Decreasing of the total internal reflection and effect of diffused reflection according to PSS improved the light extraction efficiency. To get more higher the efficiency, we simulated flip chip with PSS that the parameters are arrangement, edge spacing, radius, height and shape of PSS.

• Journal of Sensor Science and Technology
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• v.32 no.6
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• pp.455-461
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• 2023

We investigated the electrical characteristics of ZnO nanoparticles (NPs) with air exposure that is a widely used electron transport layer for quantum dot light-emitting diodes (QLEDs). Upon air exposure, we observed changes in the density of states (DOS) of the trap levels of ZnO NPs. In particular, with air exposure, the concentration of deep trap energy levels in ZnO NPs decreased and electron mobility significantly improved. Consequently, the air-exposed ZnO reduced leakage current by approximately one order of magnitude and enhanced the external quantum efficiency at the low driving voltage region of the QLED. In addition, based on the excellent conductivity properties, high-brightness QLEDs could be achieved.

• Korean Journal of Materials Research
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• v.23 no.8
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• pp.430-434
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• 2013

Quantum dots(QDs) with their tunable luminescence properties are uniquely suited for use as lumophores in light emitting device. We investigate the microstructural effect on the electroluminescence(EL). Here we report the use of inorganic semiconductors as robust charge transport layers, and demonstrate devices with light emission. We chose mechanically smooth and compositionally amorphous films to prevent electrical shorts. We grew semiconducting oxide films with low free-carrier concentrations to minimize quenching of the QD EL. The hole transport layer(HTL) and electron transport layer(ETL) were chosen to have carrier concentrations and energy-band offsets similar to the QDs so that electron and hole injection into the QD layer was balanced. For the ETL and the HTL, we selected a 40-nm-thick $ZnSnO_x$ with a resistivity of $10{\Omega}{\cdot}cm$, which show bright and uniform emission at a 10 V applied bias. Light emitting uniformity was improved by reducing the rpm of QD spin coating.At a QD concentration of 15.0 mg/mL, we observed bright and uniform electroluminescence at a 12 V applied bias. The significant decrease in QD luminescence can be attributed to the non-uniform QD layers. This suggests that we should control the interface between QD layers and charge transport layers to improve the electroluminescence.

• Journal of the Institute of Electronics Engineers of Korea SD
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• v.41 no.6
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• pp.1-7
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• 2004

We performed two-dimensional (20) computer-based modeling and simulation of FinFET by solving the coupled Poisson-Schrodinger equations quantum-mechanically in a self-consistent manner. The simulation results are carefully investigated for FinFET with gate length(Lg) varying from 10 to 80nm and with a Si-fin thickness($T_{fin}$) varying from 10 to 40nm. Current-voltage (I-V) characteristics are compared with the experimental data. Device optimization has been performed in order to suppress the short-channel effects (SCEs) including the sub-threshold swing, threshold voltage roll-off, drain induced barrier lowering (DIBL). The quantum-mechanical simulation is compared with the classical appmach in order to understand the influence of the electron confinement effect. Simulation results indicated that the FinFET is a promising structure to suppress the SCEs and the quantum-mechanical simulation is essential for applying nano-scale device structure.