• Bulletin of the Korean Chemical Society
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• v.16 no.11
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• pp.1015-1019
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• 1995

The electronic structures and properties of the neutral and multiply charged C60n ions (n=2+ to 6-) with spin states have been investigated by semi-empirical MNDO calculations. In the ground state, C601- has the lowest total energy and the highest binding energy. The neutral C60 ion is supposed to have a high ionization potential and a high electron affinity. The HOMO and LUMO positions are lower in the cationic C60 than in the anionic C60. The LUMO energy becomes increasingly positive from C601- to C606- and the HOMO energy becomes increasingly negative from C602+ to C60. The HOMO-LUMO gap of the neutral C60 ion is higher than that of the multiply charged C60 ions. From the HOMO-LUMO gap, it seems reasonable to expect that electrons of the multiply charged C60 ions will be more polarizable than those of the neutral C60 ion. The HOMO and LUMO energies increase as the negative charge increases.

• Membrane and Water Treatment
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• v.5 no.1
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• pp.57-71
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• 2014

In this study, a theoretical model for the transport phenomena in an Air Gap Membrane Distillation used for desalination was developed. The model is based on the conservation equations for the mass, momentum, energy and species within the feed water solution as well as on the mass and energy balances on the membrane sides. The rarefaction impacts are taken into consideration showing their effects on process parameters particularly permeate flow and thermal efficiency. The theoretical model was validated with available data and was found in good agreement especially when the slip condition is introduced. The rarefaction impact was found considerable inducing an increase in the permeate flux and the thermal efficiency.

• Coupled systems mechanics
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• v.5 no.4
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• pp.305-314
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• 2016

We utilize first-principles calculations within density-functional theory to investigate the possibility of strain engineering in the tuning of the band structure of two-dimensional $MoS_2$. We find that the band structure of $MoS_2$ monolayers transits from direct to indirect when mechanical strain is applied. In addition, we discuss the change in the band gap energy and the critical stains for the direct-to-indirect transition under various strains such as uniaxial, biaxial, and pure shear. Biaxial strain causes a larger change, and the pure shear stain causes a small change in the electronic band structure of the $MoS_2$ monolayer. We observe that the change in the interaction between molecular orbitals due to the mechanical strain alters the band gap type and energy.

• Membrane and Water Treatment
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• v.7 no.1
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• pp.71-86
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• 2016

The present study deals with a numerical simulation for the transport phenomena in three configurations of Membrane Distillation (Air Gap, Direct Contact and Sweeping Gas Membrane Distillation) usually used for desalination in order to make an objective comparison between them under the same operating conditions. The models are based on the conservation equations for the mass, momentum, energy and species within the feed saline and cooling solutions as well as on the mass and energy balances on the membrane sides. The theoretical model was validated with available data and was found in good agreement. DCMD configuration provided the highest pure water production while SGMD shows the highest thermal efficiency. Process parameters' impact on each configuration are also presented and discussed.

• Current Photovoltaic Research
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• v.7 no.2
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• pp.29-32
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• 2019

Large band gap attenuation of CdS nanoclusters in hybrid sol gel matrix comprised of 3-(trimethoxysilyl)propyl methacrylate (TMSPM), 15 wt. % zirconium, and various amounts of cadmium acetate was observed after $H_2S$ exposure. Hybrid sol gel matrixes were prepared by hydrolysis and condensation reactions. The sol gels contained with various amount of cadmium acetate were spin coated to glass substrates and exposed to $H_2S$ gas. The UV-visible absorption peaks were shifted toward blue with increasing the amount of CdS nanoclusters and were shifted to the red after thermal process. Significant amount of -OH absorption peaks were reduced after thermal process. Strong room temperature photoluminescence (PL) of CdS nanoclusters was observed after exposing to $H_2S$ gas. The PL intensity increased for several minutes and slowly decreased thereafter. The luminescence peaks were continuously shifted toward blue as the time passed. Extraordinary Stokes shift (approximately 160 nm) was observed.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.24 no.12
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• pp.1652-1661
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• 2000

A visualization study using the schlieren method is adopted in an optically-accessible, cylindrical constant volume combustion chamber to identify the mechanism of ignition energy and ignition system interaction in spark ignited, lean gasoline-air mixture. In order to research the effects of ignition system on flame propagation, two kinds of ignition system are designed, and several kinds of spark plugs are tested and evaluated. To control the discharge energy, the dwell time is varied. The initial flame development is quantified in terms of 2-D images which provides information about the projected flame area and development velocity as a function of ignition system and discharge energy. The results show that high ignition energy and extended spark plug gap can shorten the combustion duration in lean mixtures. The material, diameter and configuration of electrodes the flame development by changing the transfer efficiency from electrical energy to chemical energy and discharge energy. However these factors do not affect of flame development as much a ignition energy or extended gap does.

• Solar Energy
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• v.20 no.1
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• pp.73-80
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• 2000

Considering the optical performance of the reflector and analyzing heat losses from the receiver, the optimal diameter of the absorber for a PTC(Parabolic Trough Concentrator) system was numerically determined. The results of this study were compared with the results of the IST (Industrial Solar Technology)-PTC test to verify the validity of the model. Good agreement was obtained with the deviation range from 0.4 to 7.7%. Generally, the net energy gained by the receiver shows the maximum at the particular absorber diameter and the specific gap size between the absorber and the glass envelop because the heat losses from the receiver becomes the minimum. The results showed that the conductive and convective heat losses became the minimum when the gap size was 7 to 10mm. Finally, it was known that the optimal absorber diameter was 62mm at $100^{\circ}C$, 57mm at $150^{\circ}C$, and 53mm at $200^{\circ}C$ of the absorber surface temperature, respectively.

• 한국정보디스플레이학회:학술대회논문집
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• 2008.10a
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• pp.953-956
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• 2008

Using the theoretical model of Auger electron emission, effects of MgO properties which include band gap energy, escape probability, gas ion, and doping elements on the yield of secondary electron emission were examined. The results indicated that the band gap of MgO must be decreased and escape probability must be enhanced in order to increase the yield of secondary electrons from Xe ions and that may proved to be a critical for achieving high luminance efficacy in ac-PDPs.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.312-319
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• 2015

본 연구에서는 전자구조 계산을 통해 태양전지의 소재로 적합한 Graphene과 h-BN의 합성물을 찾아내었다. 태양전지가 최대 효율을 가지려면 소재의 band gap이 약 1.2 eV이어야 하는데, 본 연구에서는 이러한 물질을 다수 찾아 내었고 이런 물질들의 특징을 분석하였다. carbon domain이 넓을수록 band gap이 작았고 carbon ring이 유지될수록 cohesive energy가 컸다. 이를 다시 적용하여 적합한 구조를 예상하였으며 이와 잘 맞는 계산결과를 얻었다.

• Current Photovoltaic Research
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• v.5 no.4
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• pp.113-121
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• 2017

The researches on the silicon-based thin films are being actively carried out. The silicon-based thin films can be made as amorphous, microcrystalline and mixed phase and it is known that the optical bandgap can be controlled accordingly. They are suitable materials for the fabrication of single junction, tandem and triple junction solar cells. It can be used as a doping layer through the bonding of boron and phosphorus. The carbon and oxygen can bond with silicon to form a wide range of optical gap. Also, The optical gap of hydrogenated amorphous silicon germanium can be lower than that of silicon. By controlling the optical gaps, it is possible to fabricate multi-junction thin film silicon solar cells with high efficiencies which can be promising photovoltaic devices.