• Journal of Korean Society for Atmospheric Environment
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• v.11 no.1
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• pp.77-84
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• 1995

To prevent or reduce air pollutant from methanol fueled vehicles, methanol oxidation reaction was carried out using a heteropoly acid catalysts. Catalytic activities of catalysts have been experimented at atmospheric pressure in a fixed bed flow reactor. Catalysts were characterized by XRD, IR, thermal analysis, N $H_{3}$-TPD and GC pulse technique. Acidities of catalysts were highly affected by poly-atoms. Methanol conversion was much higher on catalyst with W than on catalyst with Mo as a poly-atoms. With the increase of copper content(X) in C $u_{x}$ $H_{{3-2x}}$PMo catalyst, acidity was decreased and oxidation ability was increased. Methanol conversion and product distribution were affected by the acidity and oxidation ability of catalyst. Especially, supported PdSiW(1wt%) catalyst has a very good methanol conversion and C $O_{2}$ selectivity as high as a commertial 3-way catalyst.t.

• Journal of the Korean Chemical Society
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• v.57 no.3
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• pp.341-351
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• 2013

Zn(II), Cd(II) and Hg(II) complexes with a general composition[$M(L)_2(X)_2$], where L=4-aminopyridine (4AP) and $X=NO_2{^-}$ were prepared under microwave irradiation. The metal complexes were characterized by elemental analyses, molar conductance, IR, Far-IR, electronic, NMR ($^1H$, $^{13}C$), XPS spectral and thermal studies. The spectroscopic studies reveal the composition, different modes of bonding, electronic transition, different chemical environment of C and H atoms and the electronic state of the metal atoms. On the basis of the characterization data, tetrahedral geometry is suggested for all the complexes. The free ligand (4-aminopyridine) and their metal complexes were screened against phytopathogenic fungi and bacteria in vitro and the activities were compared.

• Environmental Engineering Research
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• v.23 no.3
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• pp.339-344
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• 2018

The Cu loading of a cubic $Ce_{0.8}Zr_{0.2}O_2$-supported Cu catalyst was optimized for a single-stage water gas shift (WGS) reaction. The catalyst was prepared by a co-precipitation method, and the WGS reaction was performed at a gas hourly space velocity of $150,494h^{-1}$. The results revealed that an 80 wt% $Cu-Ce_{0.8}Zr_{0.2}O_2$ catalyst exhibits excellent catalytic performance and 100% $CO_2$ selectivity ($X_{CO}=27%$ at $240^{\circ}C$ for 100 h). The high activity of 80 wt% $Cu-Ce_{0.8}Zr_{0.2}O_2$ catalyst is attributed to the presence of abundant surface Cu atoms and the low activation energy of the resultant process.

• Bulletin of the Korean Chemical Society
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• v.12 no.1
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• pp.39-47
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• 1991

A cluster made of $N_A,\;N_B\;and\;N_C$ atoms in the x, y and z directions respectively, is treated with Huckel method. We obtain the approximate expressions for the eigenvalues and eigenvectors of f.c.c., b.c.c. and h.c.p. clusters in closed forms. The maximum and minimum values of the band so obtained converge to those derived from the Bloch sum in the limit of infinite extension. For a small cluster (of $9{\times}9{\times}5$ atoms, for instance), LDOS from the analytical (approximate) solution manifests better agreement at the surface, than inside the bulk.

• Bulletin of the Korean Chemical Society
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• v.20 no.4
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• pp.417-421
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• 1999

The complex, K3[La(TTHA)]5H,O, was prepared and its crystal structure was analyzed by single crystal X-ray diffraction method. In the complex, the La(Ⅲ) ion adopts a ten-coordinate geometry with four nitrogen atoms and six carboxyl oxygen atoms from the same TTHA ligand molecule. Its coordination polyhedron can be described as a distorted bicapped square antiprism. Each [La(TTHA)]3- anion is linked by K+ cations via carboxyl groups of TTHA ligand to form a three dimensional crystal structure. The thermal properties were investigated by TG and DTA techniques in argon atmosphere. The materials resulting from thermal treatment were La(OH)3 and K2O which were identified by powder X-ray diffraction technique.

• Bulletin of the Korean Chemical Society
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• v.10 no.2
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• pp.161-167
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• 1989

The results of ab initio(MP2/6-31G) molecular orbital calculations of the dipole moment derivatives and gas phase IR intensities in chloromethanes are reported. The theoretical polar tensors are analyzed into the net charge, charge-flux, and overlap contributions. The charge-flux contribution was found to be dominant in the Cl atom polar tensor, while the net charge effect was the most prominent contribution for the H atom polar tensor. The Cl atom polar tensor appeared, in a good approximation, to be transferable among various chloro molecules. On the other hand, for the prediction of IR spectra of complex hydrocarbons containing chlorine atoms, some empirical adjustment of the H-atom polar tensor seemed to be made depending on the number of Cl atoms bound to the certain carbon atom.

• Journal of the Korean Society of Industry Convergence
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• v.15 no.4
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• pp.95-101
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• 2012

In order to explain observed catalytic reactivity of aminophosphine complexes (seven-membered chelate), total energy, net charge, atomic orbital electron population, HOMO and LUMO energy of free ligands are calculated by PM3 methods of HyperChem 6.0. Free ligands are 1,2-bis{(diphosphino)amino}propane{$H_2PNHCH_2CH(CH_3)NHPH_2$;ligand 1},1,2-bis{(dimenylphosphino)amino}propane{$(CH_3)_2PNHCH_2CH(CH_3)NHP(CH_3)_2$;ligand 2},1,2-bis{(diphenylphosphino)amino}propane{$(C_6H_5)_2PNHCH_2CH(CH_3)NHP(C_6H_5)_2$;ligand 3}. The result showed that ligand 3 is stable than ligand 2 and ligand 1 and ligand 2 is stable than ligand 1 in total energy. Net charge of P atom is changed by H atom, methyl groups and phenyl groups in P atoms. Net charge of N atoms in ligands is nagative. The results of atomic orbital electron population are similar net charge data..

• Journal of Sensor Science and Technology
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• v.29 no.2
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• pp.105-111
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• 2020

Interest and demand for hydrogen sensors are increasing in the field of H₂ leakage detection during storage/transport/use and detection of H₂ dissolved in transformer oil for safety issues as well as in the field of breath analysis for non-invasively diagnosing a number of disease states for a healthy life. In this study, various ZnO-based sensors were synthesized by controlling the reduction in crystallite size, decoration of Pt nanoparticles, doping of electron donating atoms, and doping of various atoms with different ionic radii. The sensing response of the various prepared ZnO-based nanoparticles and quantum dots (QDs) for 10 ppm H₂ was investigated. Among the samples, the smallest-sized (3.5 nm) In³⁺-doped ZnO QDs showed the best sensing response, which is superior to those in previously reported hydrogen sensors based on semiconducting metal oxides. The higher sensing response of In-doped ZnO QDs is attributed to the synergic effects of the increased number of oxygen vacancies, higher optical band gap, and larger specific surface area.

• Proceedings of the KIEE Conference
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• 1997.11a
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• pp.314-316
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• 1997

We have studied the epitaxial growth and electrical properties of $Si_{0.8}Ge_{0.2}$, films on Si substrates at $550^{\circ}C$ by LPCVD. In a low $PH_3$, partial pressure region such as below 1.25 mPa, the phosphorus doping concentration increased proportionally with increasing $PH_3$ partial pressure while the deposition rate and the Ge fraction x were constant. In a higher $PH_3$ partial pressure region, the phosphorus doping concentration and the deposition rate decreased, while the Ge fraction slightly increased. The dependence of P incorporation rate on the $PH_3$ partial pressure was similar to the phosphorus doping concentration. According to test results, it suggests that high surface coverage of phosphorus atoms suppress both the $SiH_4$ adsorption/reaction and the $GeH_4$ adsorption/reaction on the surfaces, and the effect is more stronger on $SiH_4$ than on $GeH_4$. In a higher $PH_3$ partial pressure region, the deposition is largely controlled by surface coverage effect of phosphorus atoms.

• Applied Science and Convergence Technology
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• v.26 no.5
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• pp.133-138
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• 2017

We investigated the interface defect engineering and reaction mechanism of reduced transition layer and nitride layer in the active plasma process on 4H-SiC by the plasma reaction with the rapid processing time at the room temperature. Through the combination of experiment and theoretical studies, we clearly observed that advanced active plasma process on 4H-SiC of oxidation and nitridation have improved electrical properties by the stable bond structure and decrease of the interfacial defects. In the plasma oxidation system, we showed that plasma oxide on SiC has enhanced electrical characteristics than the thermally oxidation and suppressed generation of the interface trap density. The decrease of the defect states in transition layer and stress induced leakage current (SILC) clearly showed that plasma process enhances quality of $SiO_2$ by the reduction of transition layer due to the controlled interstitial C atoms. And in another processes, the Plasma Nitridation (PN) system, we investigated the modification in bond structure in the nitride SiC surface by the rapid PN process. We observed that converted N reacted through spontaneous incorporation the SiC sub-surface, resulting in N atoms converted to C-site by the low bond energy. In particular, electrical properties exhibited that the generated trap states was suppressed with the nitrided layer. The results of active plasma oxidation and nitridation system suggest plasma processes on SiC of rapid and low temperature process, compare with the traditional gas annealing process with high temperature and long process time.