• 한국진공학회:학술대회논문집
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• 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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• pp.178-178
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• 2012

Neutral atom temperature was measured by Laser Rayleigh scattering method using neutral depletion by neutral heating with ideal gas law in Inductively coupled plasma. We observed sudden pressure change when plasma is turned on and off. We analyzed mechanism of neutral heating by employing zero-dimensional neutral and ion energy balance model simultaneously. The results showed that neutral atom temperature increase with ion density. The mechanism of neutral atom heating and cooling is mainly dominated by ion-neutral collision including elastic and charge-exchange collision and by wall cooling respectively.

• Journal of Electrochemical Science and Technology
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• 제7권3호
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• pp.185-189
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• 2016

The coupled channel method via the Local Reflection (LORE) matrix is employed to investigate the quantum mechanical behavior of the sticking or adsorption and desorption of hydrogen (H) atom on bilayer graphene via the armchair edge. The sticking and desorption probabilities of H are calculated and are plotted against the initial translational energy of H. The sticking probability plot shows a barrierless reaction indicating that hydrogen is easily adsorbed on the armchair edge of graphene. The desorption probability plot, however, shows that desorption of H from the graphene sheets is an activated process with a barrier height of 4.19 eV suggesting that a strong bond exists between the adsorbed H atom and the edge carbon atom. Thus, temperatures higher than the operating temperatures (300 - 1500 K) of conventional fuel cells are necessary to release the adsorbed H atom from the armchair edge of graphene.

• Bulletin of the Korean Chemical Society
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• 제24권5호
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• pp.600-604
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• 2003

The light pressure force from an optical standing wave (SW) can focus an atomic beam to submicrometer dimensions. To make the best of this technique it is necessary to find a set of optimal experimental parameters. In this paper we consider theoretically the chromium atoms focusing and demonstrate that the focusing performance depends not only on the strength of but also on the time atoms take to traverse the force field. The general conclusions drawn can easily be applied to other atoms. To analyze the problem we numerically integrate a coupled time-dependent $Schr{\"{o}}dinger$ equation over a wide range of experimental parameters. It is found that an optimal atomic beam speed-laser intensity pair does exist, which could give substantially improved focusing over the one with the experimental parameters given in the literature. It is also shown that the widely used classical particle optics approach can lead to erroneous predictions.

• 한국진공학회지
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• 제4권S2호
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• pp.139-147
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• 1995

The mechanism of the ionized cluster beam deposition has been studied using Molecular Dynamics Simulation. The Embedded Atom Method(EAM) potential were used in the simulation. The impact of a Au95-cluster on Au(100) substrate was studied for the impact energies 0.15-10eV/atom. The dependency of the impact energy of cluster beam was observed. For the cluster energy impact of 10eV per atom, the defects on surface were created and the cluster embedded into substrate as an amorphous state. For the energy of 0.5eV per atom, the defect free homoepitaxial growth was observed and atomic scale nucleation was formated, which are in good agreement with experiment. Thus molecular dynamics simulation is very useful to study the mechanism of the ionized cluster beam deposition.

• 한국광물학회지
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• 제3권2호
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• pp.65-71
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• 1990

Compositions and thermal changes of pyrrhotites from Ohtani and Uljin mines were examined by Arnold's method and DTA analysis. The results are as follow: 1) The compositions of hexagonal type pyrrhotite are in some range from 47.23-47.42 atom.% Fe in the Ohtani mine, and 47.40-47.64 atom.% Fe in the Uljin mine. 2) The compositions of hexagonal pyrrhotite with exsoluted lamellae of monoclinic pyrrhotite are in 47.35-47.50 atom.% Fe in the Ohtani mine, and 47.15-47.40 atom.% Fe in the Uljin mine. This fact does not agree with phase diagrams of Fe-S system shown by Nakazawa and Morimoto(1970) and Sugaki and Shima(1977). 3) DTA data show two endothermic peak corresponding to ${\gamma}$ and $\beta$ transformation. Sturctural conversions from order(intermediate) to disorder(high) forms occur at about $300^{\circ}C$ for hexagonal type and further lower temperature with increasing Fe-content.

• Bulletin of the Korean Chemical Society
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• 제13권4호
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• pp.367-375
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• 1992

The electronic structure change caused by insertion of hydrogen into the interstices of Pd cluster is studied. Several properties such as energy, reduced overlap population (ROP), electon density (ED) and density of states (DOS) are calculated by Extended Huckel Method. Various types of clusters are considered. The same is performed on Ni and Pt and all the results are compared. The results show that the hydrogen atom in Pd is stabilized remarkably but its wave function is almost unperturbed. The fact is compatible with noticeable solubility of hydrogen in Pd but may not be a positive enough evidence to rationalize the claimed cold fusion phenomenon. It is also found that a remarkable charge transfer from Pd atom to hydrogen atom occurs.

• Bulletin of the Korean Chemical Society
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• 제11권5호
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• pp.460-463
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• 1990

The normal and fluorinated high-Tc superconducting materials, $YBa_2Cu_3O_{7-x}F_y$with $0.25{\leq}x{\leq}0.55\;and\;0.00{\leq}y{\leq}0.30$, were synthesized to investigate the dopping effect of fluorine atom on the superconductivity of Y123 and studied by X-ray diffraction analysis and electron probe microanalysis, resistivity and thermopower measurements, and polarized micro-Raman spectroscopy. The reproducible micro-Raman spectra were recorded and analyzed. The coherent assignments could be suggested for the spectra of normal and fluorinated samples. The fluorine atoms introduced were found to be substituted for oxygen in pyramidal Cu-O units rather than in Cu-O chains. The unit cell parameters were decreased upon the substitution of oxygen by fluorine atom. From the decreasing cell parameters and Tc, the increasing thermopower, and the possible assignments of the vibrational modes, it could be suggested that the dopping of fluorine atom localizes the superconducting electrons in Y123.

• Bulletin of the Korean Chemical Society
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• 제7권3호
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• pp.183-185
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• 1986

Self-atom polarizability were calculated for 17 polycyclic aromatic hydrocarbons and their metabolites by LCAO-MO method and examined the relation with the carcinogenicity. It has been found that ${\pi}_{1.2.4}$, the sum of self-atom polarizability of 1, 2 and 4 positions forming trans-butadiene frame in a compound, agree quite well with the observed carcinogenic activity, and also, ${\pi}_{1.2.4}$ value increase with the metabolic activiting in agreement with the experimental facts that parent carcinogens activated with metabolism. Accordingly, we suggest that the 1, 2 and 4 positions in the carcinogenic compounds play the most important role in the process of chemical carcinogenesis, and also self-atom polarizability, as one of theoretical reactivity indices, is to be used as a measure of carcinogenic activity.

• Bulletin of the Korean Chemical Society
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• 제8권3호
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• pp.155-157
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• 1987

Parameters of intraframework potential function suitable for aluminophosphate-5($AIPO_4-5$) are obtained by the constraint method. Using these parameters, we calculated the stabilization energies and their second derivatives of framework atoms and these values are compared with those of zeolite A. It is found that the oxygen atoms in $AIPO_4-5$ framework are more stable than those of zeolite A and that the aluminum atom is also more stable than that of zeolite A. On the other hand, the phosphorus atom in $AIPO_4-5$ framework, in which the silicon atoms of aluminosilicate are replaced by the phosphorus atom, is less stable than the silicon atom of aluminosilicate framework of dehydrated zeolite A.

• 분석과학
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• 제35권4호
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• pp.143-152
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• 2022

In this review, previous studies on the synthesis and characterization of the metal Complexes with paracetamol by elemental analysis, thermal analysis, (IR, NMR and UV-Vis (spectroscopy and conductivity. In reviewing these studies, the authors found that paracetamol can be coordinated through the pair of electrons on the hydroxyl O-atom, carbonyl O-atom, and N-atom of the amide group. If the paracetamol was a monodentate ligand, it will be coordinated by one of the following atoms O-hydroxyl, O-carbonyl or N-amide. But if the paracetamol was bidentate, it is coordinated by atoms (O-carbonyl and N-amide), (O-hydroxyl and N-amide) or (O-carbonyl and O-hydroxyl). The authors also found that free paracetamol and its complexes have antimicrobial activity.