• Bulletin of the Korean Chemical Society
• /
• 제33권8호
• /
• pp.2529-2534
• /
• 2012

Poly(3,4-ethylenedioxythiophene) coated Manganese Dioxide (PEDOT/$MnO_2$) composite electrode was fabricated by simply immersing the $MnO_2$ electrode in an acidic aqueous solution containing 3,4-ethylenedioxythiophene (EDOT) monomers. Analysis of open-circuit potential of the $MnO_2$ electrode in the solution indicates the reduction of outer surface of $MnO_2$ to dissolved $Mn^{2+}$ ions and simultaneously oxidation of EDOT monomer to PEDOT on the $MnO_2$ surface to form a PEDOT shell via a galvanic displacement reaction. Analysis of cyclic voltammograms and specific capacitance of the PEDOT/$MnO_2$, conductive carbon added $MnO_2$ and conductive carbon added PEDOT/$MnO_2$ electrodes suggests that the conductive carbon acted mainly to provide a continuous conducting path in the electrode to improve the rate capability and the PEDOT layer on $MnO_2$ acts to increase the active reaction site of $MnO_2$.

• Bulletin of the Korean Chemical Society
• /
• 제34권5호
• /
• pp.1445-1453
• /
• 2013

$Zn_{(1-x)}Ni_xAl_2O_4$ (x = 0.0-1.0) spinels were prepared at $800^{\circ}C$ by co-precipitation method and characterized by infrared spectroscopy, X-ray diffraction, scanning electron microscopy and X-ray photoelectron spectroscopy. The specific surface area was determined by BET. SEM image showed nano sized spherical particles. XPS confirmed the valence states of the metals, showing moderate Lewis character for the surface of materials. The powders were successfully used as new heterogeneous catalysts of Biginelli's reaction, a one-pot three-component reaction, leading to some dihydropyrimidinones (DHPMs). These new catalysts that produced good yields of DHPMs, were easily recovered by simple filtration and subsequently reused with persistent activity, and they are non-toxic and environmentally friendly. The optimum amount of catalyst is 20% by weight of benzaldehyde derivatives, while the doping amount has been found optimal for x = 0.1.

• 대한전자공학회논문지SD
• /
• 제43권2호
• /
• pp.13-17
• /
• 2006

Pentacene channel PTFT(organic thin film transistor)을 SiOC 절연박막 위에서 thermal evaporation 방법을 이용하여 성장시켰다. CVD 방법으로 증착시킨 SiOC 절연막은 조성비에 따라 특성이 달라지므로 절연막 위에서의 펜타센의 화학적 반응을 조사하기 위해서 inorganic-type인 $O_2/(BTMSM+O_2)=0.5$의 비율을 갖는 SiOC 박막을 사용하였다. 펜타센 분자의 말단에서 SiOC 표면에서 Diels-Alder 반응에 의한 이중결합이 깨어지면서 안정된 성장을 하지만 온도가 높아감에 따라 표면에서의 $SN_2(bimolecular nucleophilic substitution)$ 반응과 연쇄적인 화학반응에 의해 .펜타센의 성장을 방해하는 것으로 나타났다.

• 대한화학회지
• /
• 제27권3호
• /
• pp.194-200
• /
• 1983

${\alpha}-Fe_2O_3$의 HCl 또는 $H_2SO_4$에 의한 용해반응에 있어서 금속염의 첨가효과를 분광광도법과 중량법으로 검토하였다. 환원성 금속염은 현저한 반응촉진 효과를 보이나 비환원성 금속염은 부의 효과를 나타내었다. $FeCl_2$와 같은 환원성 금속염을 첨가한 경우에 ${\alpha}-Fe_2O_3$의 용해속도가 크게 촉진되는 것은 $Fe^{3+}$ 와 $Fe^{2+}$ 사이에 chloro-brige가 형성되어 전하이동이 일어나면서 ${\alpha}-Fe_2O_3$ 표면의 격자에너지를 감소시키기 때문인 것으로 추측된다. 이 전하이동으로 인한 ${\alpha}-Fe_2O_3$ 표면의 격자 에너지 변화가 반응의 활성화에너지 변화와 대응된다고 보면 약 0.36e의 부분전하가 $Fe^{3+}$ 쪽으로 옮겨간 것으로 계산되었다.

• 한국세라믹학회지
• /
• 제28권1호
• /
• pp.1-10
• /
• 1991

Zirconium dioxide(ZrO2) thin films have been deposited by chemical vapor deposition technique involving the application of gas mixture of ZrCl4, and H2O into silicon wafers. The relationships between the deposition rate and various reaction parameters such as the deposition time, the gas flow rate, the deposition temperature, and the composition of reactant gases were studied. The film was identified as nearly stoichiometric monoclinic ZrO2. The apparent activation energy is about 19Kcal/mole at surface chemical reaction controlled region. The deposition rate is mainly influenced by the H2O-forming reacting between CO2 and H2.

• Bulletin of the Korean Chemical Society
• /
• 제23권12호
• /
• pp.1737-1743
• /
• 2002

We have studied the dynamics of energy-rich hydrogen molecules produced on a graphite surface through H(g) + H(ad)/C(gr) → $H_2$ + C(gr) at thermal conditions mimicking the interstellar medium using a classical trajectory procedure. The recombination reaction of gaseous H atom at 100 K and the adsorbed H atom on the interstellar graphite grains at 10 K efficiently takes place on a subpicosecond time scale with most of the reaction exothermicity depositing in the product vibration, which leads to a strong vibrational population inversion. The molecules produced in nearly end-on geometry where H(g) is positioned below H(ad) rotate clockwise and are more highly rotationally excited. but in low-lying vibrational levels. The rotational axis of most of the molecule rotating clockwise is tilted from the surface normal by more than 30°, the intensity peaking at 35°. The molecules produced when H(ad) is close to the surface rotate counter-clockwise and are weakly rotationally excited, but highly vibrationally excited. These molecules tend to align their rotational axes parallel to the surface. The number of molecules rotating clockwise is eight times larger than that rotating counter-clockwise.

• Bulletin of the Korean Chemical Society
• /
• 제24권11호
• /
• pp.1659-1663
• /
• 2003

$Al_2O_3$ thin films were grown on H-terminated Si(001) substrates using dimethylaluminum isopropoxide [DMAl: $(CH_3)_2AlOCH(CH_3)_2$], as a new Al precursor, and water by atomic layer deposition (ALD). The selflimiting ALD process by alternate surface reactions of DMAI and $H_2O$ was confirmed from measured thicknesses of the aluminum oxide films as functions of the DMAI pulse time and the number of DMAI-$H_2O$ cycles. Under optimal reaction conditions, a growth rate of ~1.06 ${\AA}$ per ALD cycle was achieved at the substrate temperature of $150\;^{\circ}C$. From a mass spectrometric study of the DMAI-$D_2O$ ALD process, it was determined that the overall binary reaction for the deposition of $Al_2O_3\;[2\;(CH_3)_2AlOCH(CH_3)_2\;+\;3\;H_2O\;{\rightarrow}\;Al_2O_3\;+\;4\;CH_4\;+\;2\;HOCH(CH_3)_2]$can be separated into the following two half-reactions: where the asterisks designate the surface species. Growth of stoichiometric $Al_2O_3$ thin films with carbon incorporation less than 1.5 atomic % was confirmed by depth profiling Auger electron spectroscopy. Atomic force microscopy images show atomically flat and uniform surfaces. X-ray photoelectron spectroscopy and cross-sectional high resolution transmission electron microscopy of an $Al_2O_3$ film indicate that there is no distinguishable interfacial Si oxide layer except that a very thin layer of aluminum silicate may have been formed between the $Al_2O_3$ film and the Si substrate. C-V measurements of an $Al_2O_3$ film showed capacitance values comparable to previously reported values.

• 한국진공학회지
• /
• 제8권1호
• /
• pp.63-69
• /
• 1999

고밀도 플라즈마 source인 helical resonator의 특성을 알기 위해 Langmuir probe를 사용하여 특성 변수들-플라즈마 밀도, 전자 온도, 이온 전류 밀도-의 값을 측정하였다. 또한 $Cl_2$/poly-Si 시스템에서의 식각반응 메카니즘을 규명하기 위해 Si와 SiCi의 에미션 시그날을 분석하였다. $Cl_2$/poly-Si 식각 시스템계에서는 화학식각에 의한 반응이 물리식각에 의한 반응보다 주됨을 알 수 있다. 또한 폴리 실리콘 내의 불순물 P농도가 증가함에 따라 식각의 화학반응 산출물인 SiCl의 양이 물리식각 산출물인 Si의 양보다 급격히 증가하는 양상을 보였다. 이는 표면 반응중 형성된 Si-Cl 결합을 통해 실리콘 내부의 전자들이 Cl쪽으로 이동함으로써 Si-Cl은 더욱 유동적이며 이온화된 특성을 갖게 되고, 따라서 $Cl_2\;^+$/와 같은 에천들이 표면에 흡착될 확률이 커져 $SiCl_x$의 형성을 용이하게 하기 때문으로 생각된다. 즉 불순물 P농도가 증가함에 따라 표면의 Si를 제거하는데는 물리식각보다 화학시각이 더욱 큰 역할을 하는 것으로 밝혀졌다.

• Korean Chemical Engineering Research
• /
• 제57권1호
• /
• pp.133-141
• /
• 2019

침전법으로 환류방법 또는 수열합성법을 이용하여 산 염기점을 갖는 고비표면적 지르코니아를 합성하였다. 제조된 지르코니아는 침전제로 수산화암모늄 수용액을 사용하여 Zr 용액의 pH를 2에서 10 범위 내에서 조절하였으며 질소흡착분석, X-선 회절분석(XRD), 이소프로판올 승온탈착법(IPA-TPD), 주사전자현미경 분석, X-선 광전자분광분석, 산-염기점 분석을 통해 IPA 분해반응의 촉매활성과 연관하여 특성분석을 수행하였다. 환류방법을 사용할 시, tetragonal 상이 높은 지르코니아를 얻기 위해서는 Zr 용액의 pH가 높아야 하며, pH 9 이상에서는 순수한 tetragonal 상의 지르코니아 합성이 가능하였다. 또한, 비표면적이 큰 지르코니아를 얻기 위해서는 높은 pH가 요구되었으며, pH 10에서 합성한 경우에는 $600^{\circ}C$에서 소성 후에도 $260m^2g^{-1}$의 높은 비표면적이 얻어졌다. 하지만 같은 조건 하에서 고압이 수반되는 수열합성에는 $40m^2g^{-1}$ 이하의 매우 낮은 비표면적을 보였으며, monoclinic 상의 지르코니아가 합성되었다. 고 비표면적 tetragonal 상의 지르코니아를 얻기 위해서는 용액의 pH가 가장 큰 영향을 미쳤으며, 용액의 pH와 무관하게 높은 압력이 필요한 수열합성에서는 monoclinic 지르코니아가 생성되었으며 상대적으로 비표면적이 낮게 나타났다. 높은 비표면적과 tetragonal 상을 갖는 지르코니아는 염기점에 비해 산점이 우세하여 IPA 분해반응에서 선택적 탈수반응만 진행되는 프로필렌만 생성되었다.

• Bulletin of the Korean Chemical Society
• /
• 제35권9호
• /
• pp.2717-2722
• /
• 2014

The reaction mechanism between azacyclopropenylidene and epoxypropane has been systematically investigated employing the second-order M${\o}$ller-Plesset perturbation theory (MP2) method to better understand the reactivity of azacyclopropenylidene with four-membered ring compound epoxypropane. Geometry optimization, vibrational analysis, and energy property for the involved stationary points on the potential energy surface have been calculated. It was found that for the first step of this reaction, azacyclopropenylidene can insert into epoxypropane at its C-O or C-C bond to form spiro intermediate IM. It is easier for the azacyclopropenylidene to insert into the C-O bond than the C-C bond. Through the ring-opened step at the C-C bond of azacyclopropenylidene fragment, IM can transfer to product P1, which is named as pathway (1). On the other hand, through the H-transferred step and subsequent ring-opened step at the C-N bond of azacyclopropenylidene fragment, IM can convert to product P2, which is named as pathway (2). From the thermodynamics viewpoint, the P2 characterized by an allene is the dominating product. From the kinetic viewpoint, the pathway (1) of formation to P1 is primary.