• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.184-184
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• 2011

Using first-principles density-functional calculations, we investigate the chain reaction mechanism of allyl alcohol (ALA) molecules on the H-terminated Si(001)-2${\times}$1 surface. Recently, it was reported [1] that allyl mercaptan (ALM) molecules show a self-directed line growth across the dimer rows through a chain reaction involving several reaction processes: (i) The created radical at the C atom is transferred to the S atom, (ii) the resulting S-centered radical easily abstracts an H atom from the neighboring dimer row, and (iii) the generated S-H group further reacts with the neighboring dimer row to produce the Si-S bond on the neighboring dimer row, accompanying the associative desorption of H2. This H2-desorption process creates a new DB on the neighboring dimer row, setting off the chain reaction across the dimer rows. In the present study, we find that although the structure of ALA with -OH functional is analogous to that of ALM with -SH functional, ALA and ALM lines show a difference in their growth direction. We predict that ALA undergoes the chain reaction to show a line growth along the dimer row, contrasting with the ALM line growth across the Si dimer rows. Our analysis shows that the different growth direction of ALA is due to the strong instability of oxygen radical intermediate, which prevents from growing across the dimer rows. Thus, we demonstrate that the stability of the radical intermediate plays a crucial role in determining the direction of molecular line growth.

• Applied Chemistry for Engineering
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• v.2 no.2
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• pp.127-137
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• 1991

The dissociation and partial oxidation of $CH_3OH$ on polycrystalline $MoO_3$ powder catalyst were studied using thermal desorption spectrometry(TDS) under high vacuum condition. $CH_3OH$ was dissociatively adsorbed on $MoO_3$ in the forms of surface methoxy($-OCH_3$) and atomic hydrogen(-H). $CH_3OH$ desorbed at 425 K via the re-association of methoxy and adsorbed hydrogen atom, and HCHO desorbed at 545 K through the bond breakage of C-H in methoxy. Water TDS spectra showed two desorption peaks, that is, ${\alpha}$-peak at 428 K and ${\beta}$-peak at 586 K. It was suggested that ${\alpha}$-peak was due to the hydroxyl formed on $MoO_3$ surface during the dissociation of $CH_3OH$, and that ${\beta}$-peak was from the association of lattice oxygen and surface hydrogen atom formed by the bond breakage of C-H in methoxy. Pre-adsorbed oxygen on the surface of $MoO_3$ catalyst increased the amount of adsorption of $CH_3OH$ by promoting the dissociation of $CH_3OH$ on the surface, whereas pre-adsorbed water decreased the amount of adsorption of $CH_3OH$ by blocking of adsorption sites for $CH_3OH$.

• Korean Chemical Engineering Research
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• v.56 no.5
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• pp.718-724
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• 2018

In this study, the $Ni_{0.9}Co_{0.05}Ti_{0.05}(OH)_2$ precursor was prepared by the concentration gradient co-precipitation method. In order to overcome the structural change due to oxygen desorption in the cathode active material with high nickel content, the physical and electrochemical analysis of the cathode active material according to the calcination temperature were investigated. Physical properties of $Li_{1.05}Ni_{0.9}Co_{0.05}Ti_{0.05}O_2$ were analyzed by FE-SEM, XRD and TGA. The electrochemical performance of the coin cell using a cathode active material and $LiPF_6$(EC:EMC=1:2 vol%) electrolyte was evaluated by the initial charge/discharge efficiency, cycle retention, and rate capabilities. As a result, the initial capacity and initial efficiency of cathode materials were excellent with 244.5~247.9 mAh/g and 84.2~85.8% at the calcination temperature range of $750{\sim}760^{\circ}C$. Also, the capacity retention exhibited high stability of 97.8~99.1% after 50cycles.

• Applied Chemistry for Engineering
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• v.31 no.5
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• pp.560-567
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• 2020

In this study, we investigated that the effect of alkali metals [Na(Sodium) and K(Potassium)], known as representative deactivating substances among exhaust gases of various industrial processes, on the NH₃-SCR (selective catalytic reduction) reaction of V/W/TiO₂ catalysts. NO, NH₃-TPD (temperature programmed desorption), DRIFT (diffuse reflectance infrared fourier transform spectroscopy analysis), and H₂-TPR analysis were performed to determine the cause of the decrease in activity. As a result, each alkali metal acts as a catalyst poisoning, reducing the amount of NH₃ adsorption, and Na and K reduce the SCR reaction by reducing the L and B acid points that contribute to the reaction activity of the catalyst. Through the H₂-TPR analysis, the alkali metal is considered to be the cause of the decrease in activity because the reduction temperature rises to a high temperature by affecting the reduction temperature of V-O-V (bridge oxygen bond) and V=O (terminal bond).

• Journal of the Korean Ceramic Society
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• v.41 no.1
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• pp.36-40
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• 2004

$SnO_2$ thin films were deposited on a $SiO_2$/Si substrate with the flow of Ar and $O_2$ of 25 sccm by RF-magnetron sputtering method. the post-annealing was conducted at $500^{\circ}C$ in atmosphere of dry air and $N_2$ were changed fairly, while those annealed in dry air resembled as-deposited films. This may be attributed to the desorption of adsorbed oxygen and the extraction of lattice oxygen during annealing. Resistivity of films annealed in $N_2$ was increased over 5 times than that of as-deposited films. It can be explained that the increment of resistivity may result from the discontinuous conduction path with change of microstructures after annealing in $N_2$.

• Journal of the Korean Chemical Society
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• v.24 no.3
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• pp.218-224
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• 1980

The surface reactions of CO and $C_2H_4$ with adsorbed oxygen on ZnO were studied by means of EPR spectroscopy. The EPR spectra of $O_2$ adsorbed ZnO at various temperatures were compared, and the signal at g = 2.014 was characterized as trapped $O^-$ at oxygen vacancy. CO and $C_2H_4$ react with $O^-$ at $25^{\circ}C$ and desorbed as $CO_2$ and $H_2O$ above $200^{\circ}C$. $O_2^-$ species interact with $C_2H_4$ about $100^{\circ}C$, but desorption of partial oxidation products also was not observed until the temperature was raised to $200^{\circ}C$.

• Journal of the Korean Chemical Society
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• v.58 no.5
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• pp.437-444
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• 2014

The electrochemical corrosion and passivation of Co-RDE in borate buffer solution was studied by Potentiodynamic and electrochemical impedance spectroscopy. The mechanisms of both the active dissolution and passivation of cobalt and the hydrogen evolution in reduction reaction were hypothetically established while utilizing the Tafel slope, the rotation speed of Co-RDE, impedance data and the pH dependence of corrosion potential. Based on the EIS data, an equivalent circuit was suggested. In addition, the electrochemical parameters for specific anodic dissolution regions were carefully measured. An induction loop in Nyquist plot measured at the open-circuit potential was observed in the low frequency, and this could be attributed to the adsorption-desorption behavior in the corrosion process.

• Macromolecular Research
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• v.15 no.6
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• pp.565-574
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• 2007

In this study, five representative, commercially available polymers, Ultem 1000 polyetherimide, Kapton polyimide, phenolic resin, polyacrylonitrile and cellulose acetate, were used to prepare pyrolyzed polymer membranes coated on a porous {\alpha}-alumina$ tube via inert pyrolysis for gas separation. Pyrolysis conditions (i.e., final temperature and thermal dwell time) of each polymer were determined using a thermogravimetric method coupled with real-time mass spectroscopy. The surface area and pore size distribution of the pyrolyzed materials derived from the polymers were estimated from the nitrogen adsorption/desorption isotherms. Pyrolyzed membranes from polymer precursors exhibited type I sorption behavior except cellulose acetate (type IV). The gas permeation of the carbon/{\alpha}-alumina$ tubular membranes was characterized using four gases: helium, carbon dioxide, oxygen and nitrogen. The polyetherimide, polyimide, and phenolic resin pyrolyzed polymer membranes showed typical molecular sieving gas permeation behavior, while membranes from polyacrylonitrile and cellulose acetate exhibited intermediate behavior between Knudsen diffusion and molecular sieving. Pyrolyzed membranes with molecular sieving behavior (e.g., polyetherimide, polyimide, and phenolic resin) had a $CO_2/N_2$ selectivity of greater than 15; however, the membranes from polyacrylonitrile and cellulose acetate with intermediate gas transport behavior had a selectivity slightly greater than unity due to their large pore size.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.5 no.4
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• pp.370-377
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• 1995

The recombination of oxygen and nitrogen atoms on the surfaces of two coating m materials of the Space Shuttle Orbiter (SSO), a reaction cured glass (RCG) and a spinel (C742), was investigated. The recombination probability, $\gamma$, i.e., the probability that atoms im p pinging on the surface will recombine, was measured in a diffusion reactor. Value of $\gamma$ for oxy g gen atom on C742 ($3 {\times} 10^{-2}$) was much higher than that on RCG ($4 {\times} 10^{-4}$) at the tempera t ture of SSO re-entry (ca. 1000K). The higher value of $\gamma$ on C742 indicates a higher number d density of active sites than RCG. It suggests the possibility of designing less active surfaces by i inducing the desorption at lower temperature.

• Journal of Industrial Technology
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• v.6
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• pp.19-31
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• 1986

The residence time distribution of liquid flow in a 4.0cm diameter column packed with porous $Al_2O_3$ spheres of 0.37cm diameter were measured with pulse injections of a tracer under cocurrent trickling flow conditions. The mean residence time of liquid flow and liquid hold-up calculated by the transient curve of tracer were unaffected by gas flow rates under experimental ranges of liquid flow rates from 2.4 to $4.5(kg/m^2\;sec)$ and gas flow rates from 0 to $0.13(kg/m^2\;sec)$. The axial dispersion coefficient of liquid stream and apparent diffusivity of tracer in a micropore of solid particle were estimated from the response curve of tracer. The calculated Peclet No. were increased in ranges of 68-to 82 with a increasing of liquid mass velocity, and the external effective contacting efficiency between liquid and solid which can be expressed. by $(D_i)_{app}/D_i$ varied in ranges of 0.54 to 0.68 depending on the liquid flow rates. The gas to liquid(water) volumetric mass transfer coefficient were determined from desorption experiments with oxygen at $25^{\circ}C$ and 1 atm. The measured mass transfer coefficients were increased with liquid flow rates and the effect of gas flow rates on the mass transfer coefficient was insignificant.