• 한국재료학회지
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• 제4권8호
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• pp.861-869
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• 1994

Chemical vapor deposition using titanium tetra isopropoxide(TTIP) was employed to investigate effects of process parameters on the uniformity of $TiO_{2}$this films deposited on Indium Tin Oxide (ITO)coated glass. Deposition experiments were carried out at temperatures ranging from $300^{\circ}C$ to $400^{\circ}C$ under the pressure of 0.5~2 torrin a cold wall reactor which can handle 200mm substrate. It was found that the growth rate of $TiO_{2}$was closely related to the reaction temperature and the ractant gas compositions. Apparent activation energy for the deposition rate was 62.7lkJ/mol in the absence of $O_{2}$ and 100.4kj/mol in the presence of $O_{2}$, respectively. Homogeneous reactions in the gas phase were promoted when the total pressure of the reactor was increased. Variance in the film thickness was less than a few percent, but at high deposition rates film thickness was less uniform. Effects of reaction temperature on $TiO_{2}$ thin film characteristic was investigated with SEM, XRD and AES.

• 한국결정성장학회지
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• 제8권3호
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• pp.388-395
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• 1998

본 연구에서는 기상화학 증착법으로 성장되는 GaN 후막에 대한 열역학적 전사모사를 수행하고 이를 실험결과와 비교, 검토하였다. 열역학적계산은 화학양론적 연산방식을 이용하여 수치 해석하였으며, 모사의 변수로써 온도범위는 400~1500K, 기상비율은 $(GaCl_3)/[GaCl_3+NH_3],(N_2)/(GaCl_3+NH_3)$를 취하였다. GaN의 성장온도 범위는 이론적인 계산이 실험결과보다 훨씬 낮은 450~750K으로 예측되었다. 성장온도에서 모사결과와 실험결과와의 차이는 GaN의 기상 에픽텍시 성장이 박막성장의 높은 활성화 에너지 때문에 반응속도론적으로 국한된 영역 내에서 발생한다는 것을 나타낸다.

• 한국응용과학기술학회지
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• 제6권2호
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• pp.29-37
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• 1989

Using the quarternary ammonium salts as phase transfer catalyst, the nucleophilic substitution reaction of 1-chlorooctane with sodium-cyanide was investigate kinetically with respect to the formation of octanenitrile. The product was analyzed with gas chromatograph, and quantity of octanenitrile was measured. The reaction condition was considered by the effect of the reaction temperature, of the species and the amount of catalyst, of the speed of strirring, and of the concentration of reactants. The reaction was carried out in the first order on the concentration of 1-chlorooctane and sodium cyanide, respectively. The over-all order was 2nd. The activation energies for the nucleophilic substitution reaction of 1-chlorooctane and 1-bromooctane under tetrabutylammonium hydrogen-sulfate were calculated as 2.05 and 10.08kcal/mol, respectively. The effect of various caltalysts was decreased in the order of tetrabutylammonium bromide, terabutylammonium, tetrabutylammonium hydrogensulfate, and tetrabutylammonium iodide. The reaction rate was dependent on the concentration of sodium-cyanide dissolved in the aqueous phase, and the good result was shown when the mol ratio between 1-chlorooctane and sodium cyanide was one per three.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2004년도 하계학술대회 논문집 Vol.5 No.2
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• pp.1218-1221
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• 2004

Bi2212 superconducting thin films fabricated by using the ion Beam Sputtering Method. As a result, although the composition of Bi2212 was set up, the phase of Bi2201, Bi2212 and Bi2223 was formed. The formation area of these stable phases is indicated as inclined line in the direction of the right lower end from the Arrhenius plot of the substrate temperature-oxidation gas pressure, and are distributed in very small area. The activation energy for the phase transformation from the Bi2201 to the Bi2212 is estimated in terms of the Avrami equation.

• 한국세라믹학회지
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• 제31권3호
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• pp.257-264
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• 1994

The objectives of this study were to develop the low pressure chemical vapor deposition(LPCVD) process of SiC and to fabricate pure and dense SiC layer onto graphite substrate at low temperature. The deposition experiments were performed using the MTS-H2 system (30 torr) in the deposition temperature ranging from 100$0^{\circ}C$ to 120$0^{\circ}C$. The deposition rate of SiC was increased with the temperature. The rate controlling step can be classified from calculated results of the apparent thermal activation energy as follows; surface reaction below 110$0^{\circ}C$ and gas phase diffusion through a stagnant layer over 110$0^{\circ}C$. The deposited layer was $\beta$-SiC with a preferred orientation of (111) and the strongly faceted SiC deposits were observed over 115$0^{\circ}C$.

• 한국세라믹학회지
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• 제25권2호
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• pp.184-190
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• 1988

ZrN powder was prepared from the powder mixture of ZrCl4 and Al by the halogenide process in nitrogen gas flow (100-150ml/min) at the temperatures from 200$^{\circ}$to 1050$^{\circ}C$. ZrN powder was formed about 600$^{\circ}C$ and in the slow nitriding reaction, however, an intermediate product of Al3Zr was formed. The fine powder (0.1-10$\mu\textrm{m}$) of single phase ZrN was obtained at 1050$^{\circ}C$ after 1 hour. The lattice parameter and crystallite size of ZrN were 4.5787A and 360A, respectively. According to SEM observation, the particles were apt to agglomerates. The apparent activation energy for the formation of ZrN was approximately 13.2kcal/mole(750$^{\circ}$-1000$^{\circ}C$).

• Bulletin of the Korean Chemical Society
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• 제18권11호
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• pp.1186-1191
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• 1997

Solvolyses of methanesulfonyl chloride (CH3SO2Cl) in water and methanol have been studied theoretically using ab initio self-consistent reaction field (SCRF) molecular orbital method. All stationary structures including transition state on the potential energy surface in solution have been found and compared with the gas phase structures. The overall reaction occurs via a concerted SN2 mechanism with a non-cyclic trigonal bipyramidal transition state, and the activation barrier is lowered significantly in solution. The transition state for the hydrolysis reaction is looser than that for the methanolysis reaction, and this is in accord with the experimental findings that an SN2 type mechanism, which is shifted toward an SN1 process or an SAN process in the hydrolysis and alcoholysis reaction, respectively, takes place. The catalytic role of additional solvent molecules appears to be a purely general-base catalysis based on the linear transition structures. Experimental barrier can be estimated by taking into account the desolvation energy of nucleophile in the reaction of methanesulfonyl chloride with bulk solvent cluster as a nucleophile.

• Bulletin of the Korean Chemical Society
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• 제12권5호
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• pp.537-540
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• 1991

Electrophilic methylation reactions of five-membered heteroaromatic compounds, furan, pyrrole and thiophene, with the dimethylfluoronium ion, ${CH_3}{FCH_3}(+), have been investigated theoretically by the MNDO method. The site selectivity of ${\alpha}, {\beta}$ and heteroatom (X) is related to charge density of the site, indicating that the site selectivity is dictated by electrosatic interaction between two reaction centers. The reactivity order between the three heteroaromatics can not be determined decisively since the order differs depending on which site is compared, with relatively low activation enthalpies, ${\Delta}{H^\neq}$= 20-30 kcal/mol, in all cases. These site and substrate selectivity behaviors are consistent with the gas-phase experimental results.

• Bulletin of the Korean Chemical Society
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• 제18권6호
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• pp.657-662
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• 1997

Gas-phase phenyl group migration within the protonated ketones has been studied MO theoretically using the AM1 method. The initial state structure shows relatively strong resonance delocalization of positive charge into the nonmigrating (Y) ring, while the ring migration (Z-ring) is nearly complete in the transition state. These results are reflected in the large $p^+_Z$ (<0) and $p^+_$Y (>0) values and in the predominant contribution of resonance (r) over inductive (field, f) effect, r/f ranging from 1.3 ($p^+_r$) to 1.5 ($p^+_z$). The cross-interaction constant $p_{YZ}$ is vanishingly small ($p_{YZ}$=0.03) which is in contrast to the larger magnitudes for benzilic ($p_{YZ}$=-0.48) and azibenzil ($p_{YZ}$=-0.53) rearrangement processes. The relationship found between the extent of resonance contribution in the initial state and the magnitude of $p_{YZ}$ provides strong support for the proportionality between the magnitude of $p_{YZ}$ and the change in the intensity of interaction, ${\Delta}I^{\cdot}_{YZ}$, in the activation process.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.839-844
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• 2014

The gas-phase radical-radical reaction $O(^3P)$ + $C_2H_5$ (ethyl) ${\rightarrow}$ $H(^2S)$ + $CH_3CHO$(acetaldehyde) was investigated by applying a combination of vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed beam configuration and ab initio calculations. The two radical reactants $O(^3P)$ and $C_2H_5$ were respectively produced by photolysis of $NO_2$ and supersonic flash pyrolysis of the synthesized precursor azoethane. Doppler profile analysis of the nascent H-atom products in the Lyman-${\alpha}$ region revealed that the average translational energy of the products and the average fraction of the total available energy released as translational energy were $5.01{\pm}0.72kcalmol^{-1}$ and 6.1%, respectively. The empirical data combined with CBS-QB3 level ab initio theory and statistical calculations demonstrated that the title exchange reaction is a major channel and proceeds via an addition-elimination mechanism through the formation of a short-lived, dynamical addition complex on the doublet potential energy surface. On the basis of systematic comparison with several exchange reactions of hydrocarbon radicals, the observed small kinetic energy release can be explained in terms of the loose transition state with a product-like geometry and a small reverse activation barrier along the reaction coordinate.