• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.241-244
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• 2002

Using ab initio method, we have studied the structural stabilities, the electronic structures and properties between the two isomers with $C_{2h}$ and $C_{2v}$ symmetry of AlN four-membered-ring single precursors $[Me_2AlNHR]_2$ (R = Me, $^iPr$, and $^iBu$). In the viewpoint of bond lengths in optimized structures, the N-C bonds are considerably affected by the change of the R groups bonded to nitrogen, but the bonding characters of the Al-N and Al-C bonds are little affected. Also the structural stabilities between the two isomers with $C_{2h}$ and $C_{2v}$ symmetry by using Hartree-Fock (HF) and the second order Moeller-Pleset (MP2) calculations agree well with the experimental results for the relative stability of bis(dimethyl- m-isopropylamido-aluminum) (BDPA) and bis(dimethyl- m-t-butylamido-aluminum) (BDBA), while the semiempirical AM1 and PM3 calculations for BDPA were reverse. Thus, our results may aid in designing an optimum precursor for a given process by explaining the experimental results through the elimination of the R groups bonded to nitrogen.

• Bulletin of the Korean Chemical Society
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• v.20 no.12
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• pp.1399-1408
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• 1999

Geometrical structures for the dimerization of (NO)₂ from (NO + NO) have been calculated using ab initio Har-tree-Fock (SCF), second-order Møller-Plesset perturbation (MP2), and coupled cluster with the single, double, and triple substitution [CCSD(T)] methods with a triple zeta plus polarization (TZP) basis set including diffuse Rydberg basis functions. The structure of (NO)₂ can be described by two interactions (N…N, N…O). One is the ONNO structure with an (N…N) interaction. In this structure, acyclic cis-ONNO with $C_{2v}$-symmetry, acyclic trans-ONNO with $C_{2h}$, and cyclic ONNO with trapezoidal structure ($C_{2v}$) are optimized at the MP2 level. The other structure is the ONON structure with an (N…O) interaction. In the structure, acyclic cis-ONON with Cs$^{-symmetry}$ and cyclic ONON of the rectangular ($C_{2h}$), square $(D_{2h})$, rhombic $(D_{2h})$, and parallelogramic $(D_{2h})$ geometries are also optimized. It is found that acyclic cis-ONNO (¹A₁) is the most stable structure and cyclic ONNO (³A₁) is the least stable. Acyclic trans-ONNO (³A₁) with an (N…N) interaction, acyclic trans-ONON and bicyclic ONON $(C_{2v})$ with (N…O) interaction, and acyclic cis- and trans-NOON with an (O…O) interaction can not be optimized at the MP2 level. Particularly, acyclic trans-ONNO with $C_{2h}$-symmetry can not be optimized at the CCSD(T) level. Meanwhile, acyclic NNOO (¹A₁, $C_s)$ and trianglic NNOO (¹A₁,$C_{2v})$ formed by the (O…N) interaction between O₂ and N₂ are optimized at the MP2 level. The binding energies and the relative energy gaps among the isomers are found to be relatively small./sec. Spiral CT scans during the arterial phase were obtained 35 seconds after the injection of contrast medium. CT findings of 78 lesions less than 4cm in diameter were correlated with angiographic findings. Results : The attenuation of lesions was high(n = 69), iso(n = 5), and low(n = 4) compared with liver parenchyma during the arterial phase of spiral CT. In lesions with high-, iso-, and low-attenuation during the arterial phase of spiral CT, hypervascularity on angiograms was found in 63 of 69(91.3%), three of five(60%), and three of four lesions(75%), respectively. Six lesions with high-attenuation on the arterial phase of spiral CT were not seen on angiography. Two iso-attenuated and one low-attenuated lesion were hypovascular on angiograms. Conclusion : The results of this study suggest that with some exceptions there was good correlation between the arterial phase of spiral CT and angiography.

• The Korean Journal of Mycology
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• v.44 no.1
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• pp.36-47
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• 2016

This study was conducted to evaluate five different strains of rhizobacterial isolates viz. PA1, PA2, PA4, PA5 and PA12 for biological control against Colletotrichum acutatum, C. coccodes, C. gloeosporioides, C. dematium, Botrytis cinerea, Rhizoctonia solani, Sclerotinia minor and Fusarium sp. In vitro inhibition assay was performed on three different growth mediums, potato dextrose agar (PDA), tryptic soy agar (TSA), and PDA-TSA (1:1 v/v) for the selection of potential antagonistic isolates. According to the result, isolate PA2 showed the highest inhibitory effect with 65.5% against C. coccodes on PDA and with 96.5% against S. minor on TSA. However, the same isolate showed the highest inhibition with 58.5% against C. acutatum on PDA-TSA. In addition, an in vivo experiment was performed to evaluate these bacterial isolates for biological control against fungal pathogens. Plants treated with bacteria were analyzed with phytopathogens and plants inoculated with phytopathogens were treated with isolates to determine the biological control effect against fungi. According to the result, all five isolates tested showed inhibitory effects against phytopathogens at various levels. Mode of action of these rhizobacterial isolates was evaluated with siderophore production, protease assay, chitinase assay and phosphate solubilizing assay. Bacterial isolates were identified by 16S rDNA sequencing, which showed that isolates PA1 and PA2 belong to Bacillus subtilis, whereas, PA4, PA5, and PA12 were identified as Bacilus altitudinis, Paenibacillus polymyxa and Bacillus amyloliquefaciens, respectively. Results of the current study suggest that rhizobacterial isolates can be used for the plant growth promoting rhizobacteria (PGPR) effect as well as for biological control of various phytopathogens.

• Journal of Korean Society for Atmospheric Environment
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• v.8 no.1
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• pp.58-67
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• 1992

For removing $NO_x$ and $SO_x$ from the flue gases emitted from stationary sources, $V_2O_5-MoO_3/TiO_2$ catalysts were prepared by the conventional impregnation method (aqueous solution) and a sort of surface fixation method(nonaqueous solution) as reported excellent reproducibility catalysts. And these catalysts observed their catalytic activities as well as their surface properties. V-Mo-O oxide, prepared from nonaqueous solution of $VOCl_3$ and $Mo(CO)_6$ and aqeous solution method, was supported as amorphous state by XRD and SEM measurements. The infrared spectra of fresh and used catalysts showed that in used catalysts, V=O bands decreased and new bands of vanadium oxysulfate bands were very sensitive. So the catalysts prepared from nonaqueous solution may bring about the high activity. Results from catalytic activity measurements at 350$^\circ$C, in the presence of $SO_2, NO$ conversion was more increased than in absence of $SO_2$. As the $MoO_3$ was added to $V_2O_5/TiO_2 system, SO_2$ conversion increased. It found that from the results, $V_2O-5-MoO_3/TiO_2$ catalysts prepared from an nonaqueous solution may bring about the high activity for both the reaction of NO and $SO_2$ removal.

• Journal of Korea Foundry Society
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• v.16 no.2
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• pp.124-131
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• 1996

High temperature properties such as hot hardness and thermal fatigue resistance of high speed steel roll of hot finishing mill have been investigated. Two kinds of roll having compositions, Fe-1.75%C-5.9%Cr-1.74%Mo-4.94%V-2.03%W(A specimen) and Fe-2.27%C-8.86%Cr-2.91%Mo-3.92%V-1.86%W(B specimen)were prepared for investigating the microstructure and crack propagation mode. A specimen has greater amounts of $M_7C_3$ type carbides and less amounts of MC type carbides in comparison with B specimen. Hot hardness showed sudden decrease over $400^{\circ}C$, resulting in the hardness decrease of 50% at the temperature of $600^{\circ}C$, and showed little variation with time at $500^{\circ}C$ and $800^{\circ}C$. Thermal crack was developed at $550^{\circ}C$ in A specimen and $600^{\circ}C$ in B specimen.

• Journal of the Microelectronics and Packaging Society
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• v.20 no.2
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• pp.39-46
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• 2013

In this paper, organic solar cells(OSCs) based on bulk-heterojunction structures were fabricated by spin coating method using polymer P3HT and fullerene PCBM as a photoactive layer. The fabricated OSCs had a simple glass/ITO/PEDOT:PSS/P3HT:PCBM/Al structures. The photoactive layer of mixed P3HT:PCBM was formed with 1:1 weight ratio. The hole transport layer(HTL) was used conducting polymer PEDOT:PSS concentration with gold nanoparticles. The annealing temperature and concentration of nanoparticles in HTL were verified to improve the OSC characterization. The percentage of gold nanoparticles in HTL were 0.5 wt% and 1.0 wt%, and the surface morphology, electrical properties and absorption intensities were investigated. The devices were 0.5 wt%, and the highest 3.1% of the powder conversion efficiency(PCE), 10.2 $mA/cm^2$ of the maximum short circuit current density($J_{SC}$), 0.535V of the open circuit voltage($V_{OC}$) and 55.8% of the fill factor(F.F) could be obtained when the nanoparticle concertration was 0.5 wt%. The annealing temperature of HTL was $110^{\circ}C$, $130^{\circ}C$, $150^{\circ}C$ in vacuum oven and measured the absorption intensities, surface morphology, crystallinity and electrical properties were investigated. The best property was obtained in HTL annealed at $130^{\circ}C$ for gold nanoparticles of 0.5 wt%, showing that $J_{SC}$, $V_{OC}$, F.F and PCE were about 12.0 $mA/cm^2$, 0.525V, 64.2% and 4.0%, respectively.

• Bulletin of the Korean Chemical Society
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• v.20 no.12
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• pp.1469-1474
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• 1999

New platinum(II) complexes with asymmetrically substituted chiral diamine ligands A₂PtX₂, (A₂ = NH₂CH(CH₃)CH₂NH($c-C_5H_9)$ (apcpa), NH₂CH(CH₃)CH₂NH($c-C_6H_11)$ (apcha); X₂ = 2Cl, isopropylidenmalonate (IPM), 1,1'-cyclobutandicarboxylate (CBDCA)) have been synthesized and characterized by means of elemental analyses, infrared and NMR spectroscopies, and X-ray crystallography. The crystal structures of (S-apcha)Pt[CBDCA] ·3H₂O (orthorhombic, P2₁2₁2(No. 18), a = 6.926(3), b = 15.243(3), c = 19.319(4)Å, V = 2039.5(10) ų, Z = 4, R = 0.072) and (S-apcha)Pt[IPM] ·2.5 H₂O (monoclinic, P2/C(No. 13), a = 9.882(1), b =18.502(1), c = 22.056(1)Å, V = 4032.8(5)ų, Z = 8, R=0.093) exhibit that the platinum atoms achieve a typical square planar arrangement with two nitrogen atoms in cis position and with the chiral center retained. The spectroscopic data disclose that these platinum complexes are stable and their molecular structures are retained in aqueous solution. Among these platinum complexes, the asymmetric diamine-Pt(II) complexes with chloride leaving group exhibit high in vivo activity comparable to cisplatin against leukemia L1210 cell line.

• Korean Journal of Materials Research
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• v.9 no.10
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• pp.1025-1031
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• 1999

Alloys of TiAl with six different compositions. i. e., Ti-(42, 44)Al-2Nb-4V. Ti-(42, 44)Al-4Nb-2V and Ti -(42, 44)Al-4Nb-2Cr, were manufactured by arc-melting. and their oxidation behavior was studied. Both isothermal and cyclic oxidation tests were performed at 700, 800 and $900^{\circ}C$ in air for 50hr. The oxidation resistance increased in the order of Ti-(42, 44)Al-2Nb-4V, Ti-(42, 44)Al-4Nb-ZV and Ti-(42, 44)Al-4Nb-2Cr. It was found that V was a deleterious element, while Cr was a beneficial element in terms of oxidation resistance. During oxidation, a simultaneous interdiffusion was observed. All the constituent elements in the base alloys diffused outward. whereas oxygen from the atmosphere diffused inward, to form triple oxide layers composed of an outermost $\textrm{TiO}_2$ layer. upper ($\textrm{TiO}_2+\textrm{Al}_2\textrm{O}_3$) mixed layer, and lower $\textrm{TiO}_2$-rich layer.

• Membrane Journal
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• v.22 no.1
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• pp.16-22
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• 2012

The influence of co-existing gases on the hydrogen permeation without sweep gas was studied through a Pd-coated $V_{99.8}B_{0.2}$ alloy membrane. Membranes have been investigated in the pressure range 1.5-8.0 bar under pure hydrogen, hydrogen-carbon dioxide and hydrogen-carbon monoxide gas mixture without sweep gas at $400^{\circ}C$. Preliminary hydrogen permeation experiments without sweep gas have been confirmed that hydrogen flux was $40.7mL/min/cm^2$ for a Pd-coated $V_{99.8}B_{0.2}$ alloy membrane (thick : 0.5 mm) using pure hydrogen as the feed gas. In addition, hydrogen flux was $21.4mL/min/cm^2$ for $V_{99.8}B_{0.2}$ alloy membrane using $H_2/CO_2$ as the feed gas. The hydrogen permeation flux decreased with decrease of hydrogen partial pressure irrespective of pressure when $H_2/CO_2$and $H_2/CO$mixture applied as feed gas respectively and permeation fluxes were satisfied with Sievert's law in different feed conditions. It was found from XRD, SEM/EDX results after permeation test that the Pd-coated $V_{99.8}B_{0.2}$ alloy membrane had good stability and durability for various mixtures feeding condition.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.11a
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• pp.65-65
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• 2009

High temperature silicon carbide Schottky diode was fabricated with Au deposited on poly 3C-SiC thin film grown on p-type Si(100) using atmospheric pressure chemical vapor deposition. The charge transport mechanism of the diode was studied in the temperature range of 300 K to 550 K. The forward and reverse bias currents of the diode increase strongly with temperature and diode shows a non-ideal behavior due to the series resistance and the interface states associated with 3C-SiC. The charge transport mechanism is a temperature activated process, in which, the electrons passes over of the low barriers and in turn, diode has a large ideality factor. The charge transport mechanism of the diode was analyzed by a Gaussian distribution of the Schottky barrier heights due to the Schottky barrier inhomogeneities at the metal-semiconductor interface and the mean barrier height and zero-bias standard deviation values for the diode was found to be 1.82 eV and $s_0$=0.233 V, respectively. The interface state density of the diode was determined using conductance-frequency and it was of order of $9.18{\times}10^{10}eV^{-1}cm^{-2}$.