• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.815-820
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• 2011

Three kinds of organometallic compounds (chromium acetylacetonate, magnesium acetate and vanadyl acetylacetonate) were used as transition metal precursor, titanium n-butoxide and multi-walled carbon nanotube as titanium and carbon precursor to prepare metal oxide-CNT/$TiO^2$ composites. The surface properties and morphology of metal oxide-CNT/$TiO^2$ composites were by Brauer-Emett-Teller (BET) surface area measurement, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and energy dispersive X-ray (EDX) analysis. The photocatalytic activity of prepared metal oxide-CNT/$TiO^2$ composites was determined by the degradation effect of methylene blue in an aqueous solution under irradiation of visible light.

• Journal of the Korean Chemical Society
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• v.32 no.3
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• pp.163-170
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• 1988

The MNDO calculations were performed on the various rotamers of N-methyl formamide, N,N-dimethyl formamide, N-methyl acetamide, and N,N-dimethylacetamide in order to investigate the contribution of the one-electron and the steric effect on their rotational barriers about the C-N bond. Results show that while the conformational stabilities of formamides depend mainly on the one-electron factor, those of acetamides depend mainly on the steric factor. According to results obtained by calculations on the rotational barriers about C-N bond, for N-monosubstituted amides the steric effect is larger in the rotational ground state than in the transition state and for N,N-disubstituted amides the steric effect is larger in the rotational transition state.

• The Transactions of the Korean Institute of Electrical Engineers C
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• v.52 no.1
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• pp.1-5
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• 2003

Zn$_4$SnSe$_{6}$ and Zn$_4$SnSe$_{6}$ :Co$^{2+}$ single crystals were by the chemical transport reaction method. They crystallized in the monoclinic structure. The direct energy band gaps of the Zn$_4$SnSe$_{6}$ and Zn$_4$SnSe$_{6}$ :Co$^{2+}$single crystals at 289k were found to be 2.146eV and 2.042eV. Optical absorption due to impurity in the Zn$_4$SnSe$_{6}$ :Co$^{2+}$single crystal was observed and described as originating from the electron transition between energy levels of Co$^{2+}$ion sited at T$_{d}$ symmetry point.y point.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.20 no.7
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• pp.615-619
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• 2007

MgO layer plays an important role for plasma display panels (PDPs). In this experiment, ion beam assisted deposition (IBAD) methode was uesed to deposit a MgO thin film and the assisting oxygen ion beam energy was varied from 100 eV to 500 eV. In order to investigate the relationship between the secondary electron emission and the defect levels of the MgO layer, we measured the cathodoluminescence (CL) spectra of the MgO thin films, and we analyzed the CL peak intensity and peak transition. The results showed that the assisting ion beam energy played an important role in the peak intensity and the peak transition of the CL spectrum. The properties of MgO thin film were also analyzed using XRD and SEM, these results showed the assisting ion beam energy had direct effect on characteristics of MgO thin film.

• Macromolecular Research
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• v.16 no.6
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• pp.539-543
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• 2008

Many natural proteins self-assemble in complex ways, either to fulfill their biological function or introduce particular properties, such as high strength and toughness. We report the morphological transition in water from a spherical to rod-like shape of Bombyx mori silk fibroin by reducing the pH. Transmission electron microscopy, scanning electron microscopy, and dynamic light scattering were used to characterize the dilute solutions of silk fibroin in an aqueous environment, and provide direct visualization of the transformation of spherical micelles at pH 6.8 to nanofibrils at pH 4.8. This change in morphology occurred as a result of the stretching entropy due to the formation of $\beta$-sheets, which was analyzed using circular dichroism spectroscopy. This study demonstrates the self-assembly of silk fibroin as a function of pH.

• Korean Journal of Materials Research
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• v.15 no.9
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• pp.566-576
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• 2005

This paper describes an ab Initio study on interface energies, misfit strain energies, and electron structures at coherent interfaces Fe(bcc structure)/MCs(NaCl structure M=Ti, Zr, Hf). The interface energies at relaxed interfaces Fe/TiC, Fe/ZrC and Fe/HfC were 0.263, 0.153 and $0.271 J/m^2$, respectively. It was understood that the dependence of interface energy on the type of carbide was closely related to changes of the binding energies between Fe, M and C atoms before and after formation of the interfaces Fe/MCs with the help of the DLP/NNBB (Discrete Lattice Plane/ Nearest Neighbour Broken Bond) model and data of the electron structures. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms(Fe: 8 atoms and MC; 8 atoms). More misfit energy was generated as difference of lattice parameters between the bulk Fe and the bulk MCs increased.

• Bulletin of the Korean Chemical Society
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• v.10 no.1
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• pp.60-66
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• 1989

Semiempirical computations using the AM1 and MNDO methods were carried out in order to elucidate allowed mechanisms for 1,3-group(X) rearrangement processes with X = $BH_2$, $CH_3$, CN, F, $NH_2$, OH, Cl and SH. The reactivity of the group migration was largely controlled by the steric effect in the 4-membered ring transition state, an antarafacial process having a greater energy barrier due to a greater steric repulsion. For the groups with lone pair electrons, the participation of the lone pair orbital is found to ease the steric effect by enabling the FMO interation with highly polarizable, high lying, lone pair electrons at relatively distant range; the involvement of lone pairs in the transition state causes an alteration of the symmetry selection rule to that of a 6-electron system with an allowed 1,3-suprafacial migration in contrast to an allowed 1,3-antarafacial migration for a 4-electron system. Various stereoelectronic aspects were analysed in some detail.

• Bulletin of the Korean Chemical Society
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• v.18 no.6
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• pp.628-631
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• 1997

The preparation and characterization of $Co(dmppz)_2(3,6-dbq)_2$ (dmppz=1,4-dimethylpiperazine; 3,6-dbq=3,6-di-tert-butyl-1,2-quinone) are established. Temperature-dependent magnetic moments (100-400 K), variable-temperature IR, and electronic spectra are presented to show that the title complex exhibits an equilibrium via a catechol to cobalt intramolecular electron transfer. At temperatures below 350 K, the charge distribution of the complex is $Co^Ⅲ(dmppz)_2(3,6-dbsq)(3,6-dbcat)$ (3,6-dbsq=3,6-di-tert-butyl-1,2-semiquinonato; 3,6-dbcat=3,6-di-tert-butylcatecholato) whereas at the temperature beyond 390 K, the complex is predominantly Co^Ⅱ(dmppz)_2(3,6-dbsq)_2$ form in the solid state. At the temperature range of 350-390 K a mixture of Co(Ⅲ) and Co(Ⅱ) redox isomers exist at equilibrium. The transition temperature (Tc) of Co(Ⅲ)/Co(Ⅱ) in solution is approximately 50° lower than that in the solid state. In particular, thermal analysis on solid sample of the complex discloses that the transition for the Co(Ⅲ)/Co(Ⅱ) is accompanied by the change in heat content of 12.30 kcal/mol.

• Journal of the Optical Society of Korea
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• v.17 no.6
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• pp.543-547
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• 2013

A temperature dependent (10K-290K) photoluminescence (PL) study for two differently prepared ZnO thin films (as-grown and O-plasma treated) is presented. Four characteristic peaks were identified for both samples: (i) neutral donor-bound excitons ($D^oX$), (ii) two electron satellites (TES), (iii) phonon replica of $D^oX$ ($D^oX$-1LO), and (iv) donor-acceptor pair transition (DAP). As the sample temperature increased, $D^oX$-1LO and DAP transitions became indistinct. This was accompanied by newly-rising emission of free electron-acceptor transitions (e, $A^o$). The spectral evolution with temperature for as-grown samples also showed the optical emission from free excitons, which became dominant at higher temperatures. Some features related to O-plasma were identified in PL spectra: (i) different positions of TES transitions (28meV lower than $D^oX$ for as-grown samples and 35meV for O-plasma treated samples), (ii) the decrease of spectral intensity in both emissions of $D^oX$ and DAP after O-plasma treatment, and (iii) no noticeable transition from free excitons after the O-plasma treatment.

• Carbon letters
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• v.17 no.1
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• pp.53-64
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• 2016

Nitrogen (N)-doped ordered mesoporous carbons (OMCs) with a dual transition metal system were synthesized as non-Pt catalysts for the ORR. The highly nitrogen doped OMCs were prepared by the precursor of ionic liquid (3-methyl-1-butylpyridine dicyanamide) for N/C species and a mesoporous silica template for the physical structure. Mostly, N-doped carbons are promoted by a single transition metal to improve catalytic activity for ORR in PEMFCs. In this study, our N-doped mesoporous carbons were promoted by the dual transition metals of iron and cobalt (Fe, Co), which were incorporated into the N-doped carbons lattice by subsequently heat treatments. All the prepared carbons were characterized by via transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). To evaluate the activities of synthesized doped carbons, linear sweep was recorded in an acidic solution to compare the ORR catalytic activities values for the use in the PEMFC system. The dual transition metal promotion improved the ORR activity compared with the single transition metal promotion, due to the increase in the quaternary nitrogen species from the structural change by the dual metals. The effect of different ratio of the dual metals into the N doped carbon were examined to evaluate the activities of the oxygen reduction reaction.