• Journal of the Korean Vacuum Society
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• v.15 no.3
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• pp.259-265
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• 2006

We measured sputtering yield of RF $O_2-plasma$ treated MgO protective layer for AC-PDP(plasma display panel) using a Focused ion Beam System(FIB). A 10 kV acceleration voltage was applied. The sputtering yield of the untreated sample and the treated sample were 0.33 atoms/ion and 0.20 atoms/ion, respectively. The influence of the plasma-treatment of MgO thin film was characterized by XPS and AFM analysis. We observed that the binding energy of the O 1s spectra, the FWHM of O 1s spectra and the RMS(root-mean-square) of surface roughness decreased to 2.36 eV, 0.6167 eV and 0.32 nm, respectively.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.205-214
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• 2002

The reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon surface is studied by use of the classical trajectory approach. Especially, we have focused on the mechanism changes with the hydrogen surface coverage difference. On the sparsely covered surface, the gas atom interacts with the preadsorbed hydrogen atom and adjacent bare surface sites. In this case, it is shown that the chemisorption of H(g) is of major importance. Nearly all of the chemisorption events accompany the desorption of H(ad), i.e., adisplacement reaction. Although much less important than the displacement reaction, the formation of $H_2(g)$ is the second most significant reaction pathway. At gas temperature of 1800 K and surface temperature of 300 K, the probabilities of these two reactions are 0.750 and 0.065, respectively. The adsorption of H(g) without dissociating H(ad) is found to be negligible. In the reaction pathway forming $H_2$, most of the reaction energy is carried by $H_2(g)$. Although the majority of $H_2(g)$ molecules are produced in sub-picosecond, direct-mode collisions, there is a small amount of $H_2(g)$ produced in multiple impact collisions, which is characteristic of complex-mode collisions. On the fully covered surface, it has been shown that the formation of $H_2(g)$ is of major importance. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. At gas temperature of 1800 K and surface temperature of 300 K, the probability of the $H_2(g)$ formation reaction is 0.082. In this case, neither the gas atom trapping nor the displacement reaction has been found.

• Journal of The Korean Astronomical Society
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• v.51 no.1
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• pp.5-16
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• 2018

We investigate the escape of $Ly{\beta}$ from emission nebulae with a significant population of excited hydrogen atoms in the level n = 2, rendering them optically thick in $H{\alpha}$. The transfer of $Ly{\beta}$ line photons in these optically thick regions is complicated by the presence of another scattering channel leading to re-emission of $H{\alpha}$, alternating their identities between $Ly{\beta}$ and $H{\alpha}$. In this work, we develop a Monte Carlo code to simulate the transfer of $Ly{\beta}$ line photons incorporating the scattering channel into $H{\alpha}$. Both $H{\alpha}$ and $Ly{\beta}$ lines are formed through diffusion in frequency space, where a line photon enters the wing regime after a fairly large number of resonance scatterings with hydrogen atoms. Various line profiles of $H{\alpha}$ and $Ly{\beta}$ emergent from our model nebulae are presented. It is argued that the electron temperature is a critical parameter which controls the flux ratio of emergent $Ly{\beta}$ and $H{\alpha}$. Specifically for $T\;=\;3{\times}10^4\;K$ and $H{\alpha}$ line center optical depth $\tau{\alpha}\;=\;10$, the number flux ratio of emergent $Ly{\beta}$ and $H{\alpha}$ is ~ 49 percent, which is quite significant. We propose that the leaking $Ly{\beta}$ can be an interesting source for the formation of $H{\alpha}$ wings observed in many symbiotic stars and active galactic nuclei. Similar broad $H{\alpha}$ wings are also expected in $Ly{\alpha}$ emitting halos found in the early universe, which can be potentially probed by the James Webb Telescope in the future.

• Journal of the Korean Chemical Society
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• v.55 no.2
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• pp.183-188
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• 2011

The electronic structure and properties of Ni$(C_6H_{4-n}F_n)(CO)_2$ ($C_6H_4$=benzyne, n=1-4) complexes have been investigated using hybrid density functional B3LYP theory. Both aromatic natures and nucleus independent chemical shift (NICS) of the benzyne rings have been analyzed. Among mono-, di-, and tri-fluorinated complexes, 3-F, 3,6-F, and 4-H are the most stable isomers, respectively. NICS values calculated at the several points above the ring centers are consistent with those based on the relative energies of the complexes. The atoms in molecules (AIM) analysis indicates that Ni-C bond distance is well correlated with the electron density of a ring critical point (${\rho}_{rcp}$) in all species.

• Analytical Science and Technology
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• v.18 no.5
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• pp.386-390
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• 2005

The zinc(II) complex, $Zn(NCS)_2(C_3H_4N_2S)_2$, I, has been synthesized and characterized by single crystal X-ray diffraction, thermal analysis and infrared spectroscopy. The complex I crystallizes in the triclinic system, $P\bar{1}$ space group with a = 7.587(1), b = 8.815(1), $c=12.432(2){\AA}$, ${\alpha}=75.584(8)$, ${\beta}=83.533(9)$, ${\gamma}=68.686(8)^{\circ}$, $V=750.0(2){\AA}^3$, Z = 2, $R_1=0.036$ and ${\omega}R_2=0.101$. The central Zn(II) atom has a tetrahedral coordination geometry, with the heterocyclic nitrogen atoms of 2-aminothiazole ligands and the nitrogen atoms of isothiocyanate ligands. The crystal structure is stabilized by one-dimensional networks of the intermolecular $N-H{\cdots}S$ hydrogen bonds between the amino group of 2-aminothiazole ligands and the sulfur atom of isothiocyanate ligands. Based on the results of thermal analysis, the thermal decomposition reaction of complex I was analyzed to have three distinctive stages such as the loss of 2-aminothiazole, the decomposition of isothiocyanate and the formation of metal oxide.

• Rapid Communication in Photoscience
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• v.3 no.4
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• pp.61-63
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• 2014

3,7-bis(4-(diphenylamino)phenyl)-5-phenyl-5H-benzo[b]phosphinedole 5-sulfide (DBPPS-TPA) and 3,7-bis(4-(diphenylamino)phenyl)-5-phenyl-5H-benzo[b]phosphinedole 5-selenide (DBPPSe-TPA) are newly synthesized D-A-D type molecules based on dibenzophospholes and their physic-chemical properties are studied in comparison with a P=O type compouond, 3,7-bis(4-(diphenylamino)-5-phenyl-5H-benzo[b]phosphinedole 5-oxide (DBPPO-TPA). Fluorescence emission and electrochemical redox properties of these compounds are investigated regarding results of density functional theory (DFT) calculations, X-ray crystallographic structures and UV-vis absorption spectra. These results exhibit systematic variation in optical properties of these compounds having P=O, P=S, and P=Se units. LUMO energy level is systematically modulated with different chalcogenide atoms.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.302-302
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• 2011

Fabrications of metal-organic hybrid networks attracted much attention due to possible applications in gas storages, heterogeneous catalyses, information storages, and opto-electronic devices. One way to construct three-dimensional hybrid structures is to make the arrays of planar or linear metal-organic hybrid structures which are linked through electrostatic interactions. As a model study, we fabricated the arrays of one-dimensional hybrid chains and investigated inter-chain interactions between adjacent hybrid chains using scanning tunneling microscopy (STM) and spectroscopy (STS) on Ag(111). Brominated anthracene molecules were used to grow the arrays of hybrid chains on Ag(111). We proposed atomic models for the observed structures. Linear chains are made of repetition of Ag-anthracene units. Br atoms are attached to anthracene molecules through Br-H structures which mediate inter-chain interactions. Two different apparent heights were observed in anthracene molecules. Molecules having a Br-H connection look brighter than those with two connections due to electronic effect. When a chain is laterally manipulated with STM tip, Br atoms move together with the chain implying that Br-H inter-chain interactions are quite strong.

• Bulletin of the Korean Chemical Society
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• v.34 no.4
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• pp.1221-1224
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• 2013

The atomic layer deposition (ALD) of $ZrO_2$ was conducted in ultrahigh vacuum (UHV) conditions. The surface was exposed to $ZrCl_4$ and $H_2O$ in sequence and the surface species produced after each step were identified in situ with X-ray photoelectron spectroscopy (XPS). $ZrCl_4$ is molecularly adsorbed at 140 K on the $SiO_2$/Si(111) surface covered with OH groups. When the surface is heated to 300 K, $ZrCl_4$ loses two Cl atoms to produce $ZrCl_2$ species. Remaining Cl atoms of $ZrCl_2$ species can be completely removed by exposing the surface to $H_2O$ at 300 K followed by heating to 600 K. The layer-by-layer deposition of $ZrO_2$ was successfully accomplished by repeated cycles of $ZrCl_4$ dosing and $H_2O$ treatment.

• Bulletin of the Korean Chemical Society
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• v.19 no.10
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• pp.1095-1099
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• 1998

The crystal structure of an acetylene sorption complex of dehydrated fully Mn(Ⅱ)-exchanged zeolite X, Mn46Si100Al92O384·30C2H2 (a=24.705(3) Å) has been determined by single-crystal X-ray diffraction techniques. The structure was solved and refined in the cubic space group Fd3 at 21(l) ℃. The complex was prepared by dehydration at 380 ℃ and 2 x 10-6 Torr for 2 days, followed by exposure to 300 Torr of acetylene gas for 2 h at 24 ℃. The structure was refined to the final error indices, R1=0.060 and R2=0.054 with 383 reflections for which I > 3σ(Ⅰ). In the structure, Mn2+ ions are located at two different crystallographic sites; sixteen Mn2+ ions at site I are located at the centers of the double six rings and thirty Mn2+ ions are found at site Ⅱ in the supercage, respectively. Each of these latter Mn2+ ions is recessed ca. 0.385(2) Å into the supercage from its three-oxygen plane. Thirty acetylene molecules are sorbed per unit cell. Each Mn2+ ion at site Ⅱ lies on a threefold axis in the supercage of the unit cell, close to three equivalent trigonally arranged zeolite framework oxygen atoms (Mn(Ⅱ)-O=2.135(9) Å) and symmetrically to both carbon atoms of a C2H2 molecules. At these latter distances, the Mn(Ⅱ)-C interactions are weak (Mn(Ⅱ)-C=2.70(5) Å), probably resulting from electrostatic attractions between the divalent cations and the polarizable π-electron density of the acetylene molecules.

• Journal of the Korean Magnetics Society
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• v.5 no.5
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• pp.543-547
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• 1995

A set of $Fe_{1-x}Ni_{x}$ (x=0.10, 0.25, 0.30, 0.35, 0.50, 0.60, 0.75, 0.85) fine particles prepared by the gas evaporation technique was studied by $M\"{o}ssbauer$, XRD and other techniques. The XRD and $M\"{o}ssbauer$ patterns of the sample with x=0.10 ($Fe_{90}Ni_{10}$) were found to be exceptionally different, showing an austenite phase stability when the particles are quenched. This phase stability is quite different from that of the corresponding bulk alloy. Using binomial distrbution fits of the $M\"{o}ssbauer$ spectra of the particles in terms of nearest and next nearest neighbour configurations around the Fe atoms, an analysis of this phase stability is given. The changes in the relative intensities of the resulting magnetic sextets are used to determine the increase in martensite following the austenite-martensite transformation process. The stable austenite can, therefore, be determined. This stability may be related to the oxide surface layer and the small number of atoms of these fine particles.