• 한국연초학회지
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• 제25권1호
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• pp.59-69
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• 2003

The adsorption characteristics of H$_2$S, NH$_3$and $CH_3$SH on the graphite carbon have been investigated using Grand Canonical Monte Carlo(GCMC) method with universal force field (UFF) and dreiding force field. Most of the activated carbons used in vapor phase adsorption have the micropore of 6$\AA$ to 20$\AA$ and the specific surface area of ca. 1000 m$^2$/g, as the result of $N_2$ adsorption by BET method. For the more efficient comparison, the activated carbons have been manipulated with different pore sizes. The adsorption characteristics of H$_2$S, NH$_3$and $CH_3$SH have been considered at various temperatures and pressures. The adsorption amount using Dreiding force field is predicted to be lower than that using UFF. As the temperature is going to high, the adsorption amount of adsorbates is decreased due to their vaporization. Considering the pore size effect, the adsorption characteristic depends on the adsorbate size, polarity and interaction between adsorbates, etc. At all cases employed in this study, NH$_3$ is barely adsorbed and $CH_3$SH is preferentially adsorbed on the graphite carbon. Our theoretical result is qualitatively good agreement with the experimental observation. However, there are some quantitative discrepancies depending on the functional groups and pore size distribution on the real activated carbons used in experiment.

• 대한화학회지
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• 제20권5호
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• pp.351-357
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• 1976

진공미량저울을 써서 Spheron 6 (흑연카아본블랙)와 Alucer M.A. (Alumina) 위에서의 벤젠과 p-크실렌의 흡착등온곡선을 여러 온도에서 얻었다. 이로부터 이 두 흡착질의 흡착분자단면적이 온도에 어떻게 의존하는가를 알아 보았다. 흑연표면에서 p-크실렌은 $19^{circ}C$이하에서 촘촘하게 쌓인 편재흡착을 하고 $19.2^{circ}C$이상의 높은 온도에서는 제한된 회전을 하는 편재흡착을 한다. 이것으로 미루어 보아 벤젠, 및 간단한 벤젠유도체들도 낮은 온도에서는 촘촘하게 쌓인 편재흡착을 하고 높은 온도에서는 제한된 회전을 하는 편재흡착을 일으킨다고 생각된다. 한편 Alucer M.A. 표면에서는 이들 흡착질 분자의 흡착단면적이 온도증가에 따라 점차적으로 증가하여, 이들 흡착질 분자가 편재화되어 있지 않음을 나타내었다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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• pp.268-268
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• 2013

Water molecules on a Ru(0001) surface are anomalously acidic compared to bulk water. The observation was made by conducting reactive ion scattering, reflection absorption infrared spectroscopy, and temperature-programmed desorption measurements for the adsorption of ammonia onto a water layer formed on Ru(0001). The study shows that the water molecules in the first intact $H_2O$ bilayer spontaneously release a proton to NH3 adsorbates to produce $NH_4{^+}$. However, such proton transfer does not occur for $H_2O$, OH, and H in a mixed adsorption layer or for $H_2O$ in a thick ice film surface.

• 한국분말야금학회:학술대회논문집
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• 한국분말야금학회 2006년도 Extended Abstracts of 2006 POWDER METALLURGY World Congress Part2
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• pp.1039-1040
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• 2006

Vacuum degassing is essential in the preparation of RS P/M aluminum alloys to remove adsorbates and for the decomposition of hydrated-$Al_{2}O_3$ on the powder surface. Changes in the surface characteristics during vacuum degassing were investigated by X-ray photoelectron spectroscopy and temperature-programmed desorption measurement. Hydrated-$Al_{2}O_3$ decomposition to crystalline-$Al_{2}O_3$ and hydrogen desorption on the surface of argon gas-atomized aluminum powder occurred at 623 K and 725 K, respectively. This temperature difference suggests that the reaction converting hydrated-$Al_{2}O_3$ to crystalline-$Al_{2}O_3$ during vacuum degassing should be divided into the two reactions $"2Al+Al_{2}O_3{\cdot}3H_2O\;2Al_{2}O_3+6H_{surf}"and"6H_{surf}3H_2"$.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.145.1-145.1
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• 2013

A prerequisite for the development of graphene-based field effect transistors (FETs) is reliable control of the type and concentration of carriers in graphene. These parameters can be manipulated via the deposition of atoms, molecules, and polymers onto graphene as a result of charge transfer that takes place between the graphene and adsorbates. In this work, we demonstrate a unique and facile methodology for the homogenous and stable p-type doping of graphene by hybridization with ZnO thin films fabricated by MeV electron beam irradiation (MEBI) under ambient conditions. The formation of the ZnO/graphene hybrid nanostructure was attributed to MEBI-stimulated dissociation of zinc acetate dihydrate and a subsequent oxidation process. A ZnO thin film with an ultra-flat surface and uniform thickness was formed on graphene. We found that homogeneous and stable p-type doping was achieved by charge transfer from the graphene to the ZnO film.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2010년도 제39회 하계학술대회 초록집
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• pp.64-64
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• 2010

Ice film surfaces were examined by using the reactive ion scattering (RIS) of low energy (<35 eV) cesium ion beams. Neutral molecules (X) on the surface were detected in the form of cesium-molecule ion clusters (CsX+). Ionic species on the surface were desorbed from the surface via a low energy sputtering (LES) process below the threshold energy of secondary ion emission. The RIS and LES methods allowed us to study the H/D exchange reactions between H2O and D2O molecules on the surface and the associated proton transfer mechanisms. Specifically, H/D exchange kinetics was examined for D2O ice films (~10 BL) covered with a small amount of H2O (<0.5 BL), in the presence or absence of HCl adsorbates which provided excess protons on the surface.

• Bulletin of the Korean Chemical Society
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• 제16권2호
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• pp.89-95
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• 1995

The adsorption of methanethiol and benzenethiol on Ag(111) and Ag(100) surfaces is studied respectively, employing ASED (Atom Superposition and Electron Delocalization) method. Metal surfaces are modelled by 3-layer clusters. The corresponding thiolate anions are taken as adsorbates. The highly coordinated binding sites are most favored for both surfaces. The tilted angles of C-S axis from the surface normal are nearly zero. There's Charge transfer from adsorbate to substrate and the stretching frequency of C-S bond upon adsorption is blue-shifted from its gas phase counterpart, and its amount is the smallest at most highly coordinated site. FMO (Fragment Molecular Orbital) analysis of the system give the explanation for these results.

• Bulletin of the Korean Chemical Society
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• 제15권11호
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• pp.933-939
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• 1994

Using an atom superposition and electron delocalization molecular orbital (ASED-MO) method, we have investigated the vibrational and chemisorptive properties of adsorbates on a Pt(100) surface during CO oxidation. The calculated vibrational stretching frequency for a predicted structure of $[CO{\cdot}{\cdot}{\cdot}O]^*$ complex is 1642 $cm^{-1}$. The CO bond stretches by 0.05 ${\AA}$ when adsorbed on one-fold site, and is tilted by 30 ${\AA}$ from the surface normal. We find the decrease in CO vibrational frequency on going from the one-fold to the high coordination sites. Binding at the two-fold site is predicted to be favored for $Pt_{18}(100)$ and at the 1-fold site for $Pt_{23}(100)$. From the calculations of the steric interactions, we have found that pre-adsorbed oxygen modifies the surface so that CO is adsorbed on the one-fold site ordered in a $(\sqrt{2}{\times}{\sqrt}{2})R45^{\circ}$. Our results are in good agreement with recent experimental findings of Hong et al. [J.Phys. Chem. 1993, 97, 1258].

• Bulletin of the Korean Chemical Society
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• 제8권3호
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• pp.150-155
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• 1987

A new method of measurement of pore volume distribution in a porous material by adsorption of gases is proposed. In the newly proposed method the use of spherical molecules with relatively large molecular weight as adsorbates is strongly recommended to eliminate the troubles caused by stereospecificity and low boiling point of widely used $N_2$. It is also claimed that the universal t-curves that have been widely used since proposed by de Boer et al. must be replaced by the flat-surface isotherms that can be derived from the theory proposed by Chang et al. The results of analysis of pore volume distribution based on the method described in this paper are found to be reasonable and satisfactory.

• Journal of Electrochemical Science and Technology
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• 제12권3호
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• pp.339-345
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• 2021

Spent activated carbons (SACs) collected from a water treatment plant were regenerated and then adopted as electrochemical material in capacitors. The SACs used in this study were regenerated via two steps, namely thermal and chemical activation. However, during the activation process, the adsorbates were converted into ashes, which caused pore blockage and decreased specific surface area. The regenerated SACs were washed with acid solutions with different levels of acidity (strong: HCl, mild: H₃PO₄, and weak: H₂O₂) to remove the ashes. The regenerated SACs washed with HCl exhibited the highest specific surface area, although their capacitance was not the highest. Conversely, the specific surface area of regenerated SACs washed using H₃PO₄ was slightly lower than that of HCl, but exhibited higher capacitance and electrochemical stability. Although the strong acid removed the generated ashes in the pores efficiently, it could adversely affect their structural stability, which would lead to lower capacitance.