• Bulletin of the Korean Chemical Society
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• v.34 no.4
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• pp.1188-1194
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• 2013

Transparent $TiO_2$ thin films have been prepared by sol-gel spin coating method. The sols used for deposition of thin films were prepared with different ethanol content. The effect of ethanol (solvent) concentration and annealing temperature on the performance of $TiO_2$ thin film solar cells has been studied. The results indicate that the as deposited films are amorphous in nature. $TiO_2$ thin films annealed at temperatures above $350^{\circ}C$ exhibited crystalline nature with anatase phase. The results also indicated that the crystallinity of the films improved with increase of annealing temperature. The high resolution transmission electron microscope images showed lattice fringes corresponding to the anatase phase of $TiO_2$. The band gap of the deposited films has been found to decrease with increase in annealing temperature and increase with increase in ethanol concentration. The dependents of photovoltaic efficiency of the dye-sensitized $TiO_2$ thin film solar cells (DSSCs) with the amount of ethanol used to prepare thin films was determined from photocurrent-voltage curves.

• Journal of the Korean Chemical Society
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• v.60 no.4
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• pp.225-234
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• 2016

The activity of 34 sulfonamide derivatives has been estimated by means of multiple linear regression (MLR), artificial neural network (ANN), simulated annealing (SA) and genetic algorithm (GA) techniques. These models were also utilized to select the most efficient subsets of descriptors in a cross-validation procedure for non-linear -log (IC50) prediction. The results obtained using GA-ANN were compared with MLR-MLR, MLR-ANN, SA-ANN and GA-ANN approaches. A high predictive ability was observed for the MLR-MLR, MLR-ANN, SA-ANN and MLR-GA models, with root mean sum square errors (RMSE) of 0.3958, 0.1006, 0.0359, 0.0326 and 0.0282 in gas phase and 0.2871, 0.0475, 0.0268, 0.0376 and 0.0097 in solvent, respectively (N=34). The results obtained using the GA-ANN method indicated that the activity of derivatives of sulfonamides depends on different parameters including DP03, BID, AAC, RDF035v, JGI9, TIE, R7e+, BELM6 descriptors in gas phase and Mor 32u, ESpm03d, RDF070v, ATS8m, MATS2e and R4p, L1u and R3m in solvent. In conclusion, the comparison of the quality of the ANN with different MLR models showed that ANN has a better predictive ability.

• Proceedings of the KIEE Conference
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• 1993.07b
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• pp.1156-1158
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• 1993

Undoped ZnO films were prepared on Soda lime glass using pyrosol deposition method starting from the solutions composed of $ZnO(CH_3COO){_2}\;2H_2O-H_2O-CH_3OH$. Surface morphology revealed ZnO films were polycrystalline above $400^{\circ}C$ substrate temperature in $H_2O$ only solvent $H_2O-CH_3OH$ solvent revealed more good result than $H_2O$ only solvent. the lowest resistivity of as-deposit ZnO films was 4 ${\Omega}$-Cm and transmittance at 550nm was 85%. post-annealing of as-deposited films in a vacuum leads to s reduction in resistivity without affecting the optical transmittance.

• Journal of the Korean Magnetic Resonance Society
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• v.26 no.1
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• pp.1-9
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• 2022

There are two distinct approaches to improving the quality of protein NMR structures during refinement: all-atom force fields and accumulated knowledge-assisted methods that include Rosetta. Mao et al. reported that, for 40 proteins, Rosetta increased the accuracies of their NMR-determined structures with respect to the X-ray crystal structures (Mao et al., J. Am. Chem. Soc. 136, 1893 (2014)). In this study, we calculated 32 structures of those studied by Mao et al. using all-atom force field and implicit solvent model, and we compared the results with those obtained from Rosetta. For a single protein, using only the experimental NOE-derived distances and backbone torsion angle restraints, 20 of the lowest energy structures were extracted as an ensemble from 100 generated structures. Restrained simulated annealing by molecular dynamics simulation searched conformational spaces with a total time step of 1-ns. The use of GPU-accelerated AMBER code allowed the calculations to be completed in hours using a single GPU computer-even for proteins larger than 20 kDa. Remarkably, statistical analyses indicated that the structures determined in this way showed overall higher accuracies to their X-ray structures compared to those refined by Rosetta (p-value < 0.01). Our data demonstrate the capability of sophisticated atomistic force fields in refining NMR structures, particularly when they are coupled with the latest GPU-based calculations. The straightforwardness of the protocol allows its use to be extended to all NMR structures.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.11a
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• pp.258-258
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• 2009

본 연구에서는 P3HT(Poly(3-hexylthiophene-2))와 PCBM ([6,6]-phenyl-C61-butyric acid methyl ester)를 donor, acceptor물질로 사용하고 Toluene, DCB, CB를 용매로 함으로써 각각의 경우에 대한 효율과 특성을 분석하였다. 그 결과, CB을 이용한 태양전지가 후 열처리 과정을 거친 후 가장 높은 효율을 보였으며, 광흡수율 측면에서는 열처리를 하였을 경우와 하지 않은 경우 모두에서 DCB가 뛰어났으나 다른 용매에 비하여 열처리를 통한 성능의 개선 효과는 가장 미비하였다.

• Proceedings of the Materials Research Society of Korea Conference
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• 2010.05a
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• pp.18.2-18.2
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• 2010

For the past a few years, we have intensively researched the printable inorganic conductors and ZnO-based amorphous oxide semiconductors (AOSs) for thin-film transistors. For printable conductor materials, we have focused on the aqueous Ag and Cu ink which possess a variety of advantages, comparing with the conventional metal inks based on organic solvent system. The aqueous Ag ink was designed to achieve the long-term dispersion stability using a specific polymer which can act as a dispersant and capping agent, and the aqueous Cu ink was carefully formulated to endow the oxidation stability in air and even aqueous solvent system. The both inks were successfully printed onto either polymer or glass substrate, exhibiting the superior conductivity comparable to that of bulk one. For printable ZnO-based AOSs, we have researched the noble way to resolve the critical problem, a high processing-temperature above $400^{\circ}C$, and recently discovered that Ga doping in ZnO-based AOSs promotes the formation of oxide lattice structures with oxygen vacancies at low annealing-temperatures, which is essential for acceptable thin-film transistor performance. The mobility dependence on annealing temperature and AOS composition was analyzed, and the chemical role of Ga are clarified, as are requirements for solution-processed, low-temperature annealed AOSs.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.396-396
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• 2013

The resistive random access memory (ReRAM) has several advantages to apply next generation non-volatile memory device, because of fast switching time, long retentions, and large memory windows. The high mobility of monolayered graphene showed several possibilities for scale down and electrical property enhancement of memory device. In this study, the monolayered graphene grown by chemical vapor deposition was transferred to $SiO_2$ (100 nm)/Si substrate and glass by using PMMA coating method. For formation of metal-oxide nanoparticles, we used a chemical reaction between metal films and polyamic acid layer. The 50-nm thick BPDA-PDA polyamic acid layer was coated on the graphene layer. Through soft baking at $125^{\circ}C$ or 30 min, solvent in polyimide layer was removed. Then, 5-nm-thick indium layer was deposited by using thermal evaporator at room temperature. And then, the second polyimide layer was coated on the indium thin film. After remove solvent and open bottom graphene layer, the samples were annealed at $400^{\circ}C$ or 1 hr by using furnace in $N_2$ ambient. The average diameter and density of nanoparticle were depending on annealing temperature and times. During annealing process, the metal and oxygen ions combined to create $In_2O_3$ nanoparticle in the polyimide layer. The electrical properties of $In_2O_3$ nanoparticle ReRAM such as current-voltage curve, operation speed and retention discussed for applictions of transparent and flexible hybrid ReRAM device.

• 한국초전도학회:학술대회논문집
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• v.9
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• pp.63-66
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• 1999

We fabricated ramp-edge Josephson junctions with barriers formed by interface treatments instead of epitaxially grown barrier layers. Low-dielectric Sr$_2AITaO_6$(SAT) layer was used as an ion-milling mask as well as an insulating layer for the ramp-edge junctions. An ion-milled YBa$_2Cu_3O_{7-x}$ (YBCO)-edge surface was not exposed to solvent through all fabrication procedures. The barriers were produced by structural modification at the bottom YBCO edge using plasma treatment prior to deposition of the top YBCO electrode. We investigated the effects of pre-annealing and post-annealing on the characteristics of the interface-treated Josephson junctions. The junction parameters were improved by using in-situ RF plasma cleaning treatment.

• Applied Chemistry for Engineering
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• v.24 no.3
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• pp.305-313
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• 2013

In this study, we investigated effects of thermal annealing on the thermal properties and microphase separation behaviors of glycidyl azide-based thermoplastic polyurethane elastomers (ETPE). The GAP-based ETPEs were characterized by attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR), differential scanning calorimeter (DSC), dynamic mechanical analysis (DMA), and gel permeation chromatography (GPC). The effects of annealing temperature conditions ($80{\sim}130^{\circ}C$, 1 h or 24 h) on the properties of the ETPEs were investigated. The intensity of azide group absorption peak of ATR-FTIR spectra and the solubility of ETPE for methylene chloride and dimethylformamide solvent decreased after the annealing at $130^{\circ}C$ for 1 h and at $105^{\circ}C$ for 24 h. With increasing the annealing temperature from $80^{\circ}C$ to $110^{\circ}C$, the high temperature rubbery plateau region of storage modulus curves from DMA thermogram for GAP-based ETPEs was extended to the higher temperature.

• Korean Journal of Crystallography
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• v.1 no.1
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• pp.29-34
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• 1990

Single crystals of the peritectic compound MgTiO3 up to 8 m diameter and 100mm long along the [1010] axis. were yon by the travelling solvent floating zone technique using a halogen lamp image furnace. The grown single crystal. which shows a solid solution range at high temperature, exsolves TiO2 component if it is annealed very slowly to room termperature. Grown boules were black but become translucent with pinkish brown color after tempering at 1100 t for 8-10 hours in oxygen atmosphere and showed distint chatoyancy along the (0001) plane. The grown crystal can be used as a new modified cat's eye gemstone. The optimum conditions were as follows ;Sintering temperature of the charge rod, 1300℃ the growth rate, 2-2.5mmh and the composition of the charge rod in molar ratio. MgO : TiO2 : 1:1.05.