• Korean Chemical Engineering Research
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• v.50 no.6
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• pp.1043-1048
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• 2012

In this study, activated carbons (ACs) were modified as electrode materials for an electric double layer capacitor (EDLC) by controlling oxygen- and nitrogen-containing functional groups. The morphological and chemical properties of ACs were analyzed through scanning electron microscopy (SEM), fourier transform infrared (FTIR) spectrometer, automatic elemental analyzer (EA) and Boehm titration. Also, charge/discharge tests were performed to investigate the EDLC performance. Oxygen- and nitrogen-containing functional groups were introduced on the surface of ACs through acid and urea treatments, respectively. ACs with nitrogen-containing functional groups showed 2 mA increase of gravimetric discharge capacity and quick achievement of maximum charge/discharge performance. However, ACs with oxygen-containing functional groups showed low discharge capacity and its gradual decrease during further cyclic test, since the functional groups interrupted adsorption/desorption of charges in the electrolyte on the surface of ACs.

• Journal of Electrochemical Science and Technology
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• v.8 no.1
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• pp.43-52
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• 2017

In this paper, for the first time, the electroanalytical study of Triethylenediamine, TEDA was done on a typically graphene modified carbon paste electrode (Gr/CPE) in pH=10.5 of phosphate buffer solutions (PBS). The surface morphology of the bare and modified electrodes was characterized by scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). The electro-oxidation of TEDA was investigated at the surface of modified electrode. The results revealed that the oxidation peak current of TEDA at the surface of Gr/CPE is 2.70 times than that shown at bare-CPE. A linear calibration plot was observed in the range of 1.0 to 202.0 ppm. In this way, the detection limit was found to be 0.18 ppm. The method was then successfully applied to determination of TEDA in aqueous samples obtained from two kinds of activated carbon from the masks of war. On the other hand, density functional theory (DFT) method at B3LYP/6-311++G** level of theory and a conductor-like Polarizable Continuum Model (CPCM) was used to calculate the $pK_a$ values of TEDA. The energies of lowest unoccupied molecular orbital ($E_{LUMO}$) and highest occupied molecular orbital ($E_{HOMO}$), gap energy (${\Delta}E$) and some thermodynamic parameters such as Gibbs free energy of TEDA and its conjugate acid ($HT^+$) were calculated. The results of calculated $pK_a$ were found to be in good agreement with the experimental values.

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.613-619
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• 2011

Colloidal silver nanoparticles (AgNPs) have been commercialized as the typically stabilized form via the addition of a variety of surfactants or polymers. Herein, to examine the effects of stabilizing AgNPs in suspension, we modified the surface of bare AgNPs with four type of surfactants (NaDDBS, SDS, TW80, CTAB) and polymers (PVP, PAA, PAH, CMC). The modified AgNPs was applied to compare suspension stability and nanotoxicity test using Escherichia coli (E. coli) as a model organism. Modification of AgNPs surface using chemical stabilizer may be not related with molecular weight, but chemical structure such as ionic state and functional group of stabilizer. In this study, it is noteworthy that AgNPs modified with a cationic stabilizer (CTAB, PAH) were importantly toxic to E. coli, rather than anionic stabilizers (NaDDBS, SDS). Comparing similar anionic stabilizer, i.e., NaDDBS and SDS, the result showed that lipophilicity of chemical structure can affect on E. coli, because NaDDBS, which contains a lipophilic benzene ring, accelerated the cytotoxicity of AgNPs. Interestingly, none of the stabilizers tested, including biocompatible nonionic stabilizers (i.e., TW80 and cellulose) caused a reduction in AgNP toxicity. This showed that toxicity of AgNPs cannot be reduced using stabilizers.

• Korean Chemical Engineering Research
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• v.43 no.1
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• pp.60-65
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• 2005

The electrosorption of U(VI) from waste water was carried out by using activated carbon fiber(ACF) felt electrode in a continuous electrosorption cell. In order to enhance the electrosorption capacity at lower potential, ACF felt was chemically modified in acidic, basic and neutral solution. Pore structure and functional groups of chemically modified ACF were examined, and the effect of treatment conditions was studied for the adsorption of U(VI). Specific surface area of all ACFs decreases by this treatment. The amount of acidic functional groups decreases with basic and neutral salt treatment, while the amount increases a lot with acidic treatment. The electrosorption capacity of U(VI) decreases on using the acid treated electrode due to the shielding effect of acidic functional groups. Base treated electrode enhances the capacity due to the reduction of acidic functional groups. The electrosorption amount of U(VI) on the base treated electrode at -0.3 V corresponds to that of ACF electrode at -0.9 V. Such a good adsorption capacity was not only due to the reduction of shielding effect but also the increase of $OH^-$ in the electric double layer on ACF surface by the application of negative potential.

• Nuclear Engineering and Technology
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• v.30 no.3
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• pp.202-211
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• 1998

Interfacial stresses at two-material interfaces and initial displacement field over the entire domain are obtained by modifying the potential energy functional with a penalty function, which enforces continuity of the stresses at the interface of two materials. Based on the initial displacement field and interfacial stresses, a new methodology to generate a continuous stress field over the entire domain has been proposed by combining the modified projection method of stress-smoothing and Loubignac's iterative method of improving the displacement field. Stress analysis is carried out on two examples made of dissimilar materials : one is a two-material cantilever composed of highly dissimilar materials and the other is a zirconium-lined cladding tube made of slightly dissimilar materials. Results of the analysis show that the proposed method provides an improved continuous stress field over the entire domain, and accurately predicts the nodal stresses at the interface, while the conventional displacement-based finite element method produces significant stress discontinuities at the interface. In addition, the total strain energy evaluated from the improved continuous stress field converges to the exact value in a few iterations.

• Journal of the Korean Vacuum Society
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• v.6 no.3
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• pp.200-205
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• 1997

Surface of polyethylene film was modified by ion assisted reaction in which ion beam is irradiated on polymer in reactive gas environments. Ion (argon and oxygen) beam energy was 1 keV, doses were varied from $1{\times}10^{14}$ to $1{\times}10^{17}$ inons/ $\textrm{cm}^2$, and amount of blowing oxygen from 0 to 4 sccm(ml/min). Wettability was measured by water contact angle measurement, and the surface functionality was analyzed by x-ray photoelectron spectroscopy. The contact angles of water to polyethylene modified by oxygen ion beam only decrease from 95 to degrees, and surface energy was not changed much. The contact angles remarkably decrease to 28 degrees and surface energy increase to 67 erg/ $\textrm{cm}^2$ when the films were modified by argon ion with various ion doses with blowing oxygen gases near the polyethylene surface. Improvement of wettability and surface energy are mainly due to the new functional group formation such as C-O or C=O, which are known as hydrophilic groups from the XPS analysis, and the assisted reaction is very effective to attach oxygen atoms to form functional groups on C-C bond chains of polyethylene.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.8-8
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• 2011

During the last half decade, chemically modified graphene (CMG) has been studied in the wide range of applications, such as polymer composites, energy-related materials, sensors, 'paper'-like materials, field-effect transistors (FET), inks, actuators, and biomedical applications due to its excellent electrical, mechanical, and thermal properties. Chemical modification of graphene oxide, which is generated from graphite oxide, which is produced by simple oxidation of graphite, has been a promising route to achieve mass production of CMG platelets via their colloidal suspensions. Graphene oxide contains a range of reactive oxygen functional groups, which renders it a good candidate for use in the aforementioned applications (among others) through chemical functionalizations. In this presentation, I will discuss my recent research activities on the fundamental chemistry of graphite oxide, as well as novel applications based on CMGs. Topics will include the chemical structure of CMGs and colloidal suspensions of CMG platelets, as well as a wide variety of applications.

• 한국신재생에너지학회:학술대회논문집
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• 2009.11a
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• pp.159-159
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• 2009

In this work, nitrogen and oxygen functionalities was introduced to the graphite nanofibers (GNFs) and their effect on electrocatalytic performance of the GNF supports for direct methanol fuel cells (DMFCs) was invesigated. The nitrogen and oxygen groups were introduced through the urea treatments and acid treatment, respectively. And, PtRu catalysts deposited on modified GNFs were prepared by a chemical reduction method. The catalysts were characterized by means of elemental analysis, nitrogen adsorption, and X-ray photoelectron spetroscopy (XPS). The structure and morphological characteristics of the catalysts were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). As a result, the Pt-Ru nanoparticles were impregnated on GNFs with good formation in 3-5 nm. And, the cyclic voltammograms for methanol oxidation revealed that the methanol oxidation peak varied depending on changes of surface functional groups. It was thus considered that the PtRu deposition was related to the reduction of PtRu and surface characteristics of the carbon supports. The changes of surface functional groups were related to PtRu reduction, significantly affect the methanol oxidation activity of anode electrocatalysts in DMFCs.

• Nuclear Engineering and Technology
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• v.53 no.2
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• pp.592-602
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• 2021

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSi_xP_1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.

• Proceedings of the Korean Vacuum Society Conference
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• 1999.07a
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• pp.202-202
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• 1999

The Polyethylene (PE), Polystyrene (PS) and Polytetrafluoroethylene (PTFE) surface modification was investigated by hydrogen io assisted reaction (H-IAR) in oxygen environment. The IAR is a kind of surface modification techniques using ion beam irradiation in reactive gas environment. The energy of hydrogen ion beam was fixed at 1keV, io dose was varied from 5$\times$1014 to 1$\times$1017 ions/$\textrm{cm}^2$, and amount of oxygen blowing gas was fixed 4ml/min. Wettability was measured by water contact angles measurement, and the surface functionality was analyzed by x-ray photoelectron spectroscopy. The contact angle of water on PE modified by argon ion beam only decrease from 95$^{\circ}$ to 52$^{\circ}$, and surface energy was not changed significantly. But, the contact angle using hydrogen ion beam with flowing 4ml/min oxygen stiffly decreased to 8$^{\circ}$ and surface energy to 65 ergs/cm. In case of PS, the contact angle and surface energy changes were similar results of PE, but the contact angle of PTEE samples decreased with ion dose up to 1$\times$1015 ions/$\textrm{cm}^2$, increased at higher dose, and finally increased to the extent that no wetting was appeared at 1$\times$1017 ions/$\textrm{cm}^2$. These results must be due to the hydrogen ion beam that cleans the surface removing the impurities on polymer surfaces, then hydrogen ion beam was activated with C-H bonding to make some functional groups in order to react with the oxygen gases. Finally, unstable polymer surface can be changed from hydrophobic to hydrophilic formation such as C-O and C=O that were confirmed by the XPS analysis, conclusionally, the ion assisted reaction is very effective tools to attach reactive ion species to form functional groups on C-C bond chains of PE, PS and PTFE.