• Title/Summary/Keyword: Mechanism of adsorption

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Quantum Chemical Calculation of NO Decomposition over Cu-Y Zeolite (Cu-Y 제올라이트상의 NO분해반응에 대한 양자화학적 해석)

  • Kim, Myung-Chul
    • Applied Chemistry for Engineering
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    • v.7 no.2
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    • pp.321-325
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    • 1996
  • Quantum chemical calculations are used to characterize the decomposition of nitrogenmonoxide over $Cu^{n+}$-Y zeolite. The method of theoretical calculations, such as CNDO/2, have been applied to cluster models representing cation sites in zeolite to obtain total energies, LUMO energies, and Wiberg bond orders. The calculated total energies and bond orders of cluster models showed the reaction mechanism of NO decomposition over $Cu^{n+}$ site in zeolite framework. The suggested cluster models of varying Si/Al ratios studied with exchange cations in the $Cu^+$ and in the $Cu^{2+}$ states. And the calculated LUMO energies can predict L acidifies of cluster models. The results from these experiments showed the possibility of the mechanism of NO decomposition, progressing adsorption of NO, conversion to $N_2$ and $O_2$, desorption of $N_2$ and $O_2$ in sequence. The L acidity of $Cu^{2+}$ ion in cation site is more strong than $Cu^+$.

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UV Photo Response Driven by Pd Nano Particles on LaAlO3/SrTiO3 Using Ambient Control Kelvin Probe Force Microscopy

  • Kim, Haeri;Chan, Ngai Yui;Dai, Jiyan;Kim, Dong-Wook
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.207.1-207.1
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    • 2014
  • High-mobility and two dimensional conduction at the interface between two band insulators, LaAlO3 (LAO) and SrTiO3 (STO), have attracted considerable research interest for both applications and fundamental understanding. Several groups have reported the photoconductivity of LAO/STO, which give us lots of potential development of optoelectronic applications using the oxide interface. Recently, a giant photo response of Pd nano particles/LAO/STO is observed in UV illumination compared with LAO/STO sample. These phenomena have been suggested that the correlation between the interface and the surface states significantly affect local charge modification and resulting electrical transport. Water and gas adsorption/desorption can alter the band alignment and surface workfunction. Therefore, characterizing and manipulating the electric charges in these materials (electrons and ions) are crucial for investigating the physics of metal oxide. Proposed mechanism do not well explain the experimental data in various ambient and there has been no quantitative work to confirm these mechanism. Here, we have investigated UV photo response in various ambient by performing transport and Kelvin probe force microscopy measurements simultaneously. We found that Pd nano particles on LAO can form Schottky contact, it cause interface carrier density and characteristics of persistence photo conductance depending on gas environment. Our studies will help to improve our understanding on the intriguing physical properties providing an important role in many enhanced light sensing and gas sensing applications as a catalytic material in different kinds of metal oxide systems.

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Experimental Study on the Synthesis of Dimethyl Ether (디메틸에테르 합성 반응의 실험적 연구)

  • Choi, Chang Woo;Cho, Wonihl;Baek, Young Soon;Row, Kyung Ho
    • Applied Chemistry for Engineering
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    • v.17 no.2
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    • pp.125-131
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    • 2006
  • Dimethyl ether (DME) is a new clean fuel as an environmentally-benign energy resource. DME can be manufactured from various energy sources including natural gas, coal, biomass and spent plastic. In addition to its environmentally friendly properties, DME has similar characteristics to those of LPG. Therefore, it is considered as an excellent substitute fuel for LPG, fuel cells, power plant, and especially diesel and is expected to be the alternative fuel by 2010. The experimental study of the direct synthesis of DME was investigated under various conditions over a temperature range of $220{\sim}280^{\circ}C$, syngas ratio 1.2~3.0. All experiments were carried out with a hybrid catalyst, composed of a methanol synthesis catalyst ($Cu/ZnO/Al_2O_3$) and a dehydration catalyst (${\gamma}-Al_2O_3$). The observed reaction rate follows qualitatively a Langmiur-Hinshellwood model as the reaction mechanism. Such a mechanism is considered with three reactions; methanol synthesis, methanol dehydration and water gas shift reaction. From a surface reaction with dissociative adsorption of hydrogen, methanol, and water, individual reaction rate was determined.

Intimate Understanding for Growth Mode of Graphene on Copper

  • Song, U-Seok;Jeon, Cheol-Ho;Kim, Su-Yeon;Kim, Yu-Seok;Kim, Seong-Hwan;Lee, Su-Il;Jeong, Dae-Seong;Park, Jong-Yun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.181-181
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    • 2012
  • Direct synthesis of graphene using a chemical vapor deposition (CVD) has been considered a facile way to produce large-area and uniform graphene film, which is an accessible method from an application standpoint. Hence, their fundamental understanding is highly required. Unfortunately, the CVD growth mechanism of graphene on Cu remains elusive and controversial. Here, we present the evidences for two different growth modes of graphene on Cu investigated by varying carbon feedstock (C2H2 and CH4) and working pressure. The number of uniform graphene layer grown by C2H2 increased with increasing its injection time. A combined secondary ion mass spectrometry (SIMS) and X-ray diffraction (XRD) study revealed a carbon-diffused Cu layer created below surface region of Cu substrate with the expansion of Cu lattice. The graphene on Cu was grown by the diffusion and precipitation mode not by the surface adsorption mode, because similar results were observed in graphene/Ni system. The carbon-diffused Cu layer was also observed after graphene growth under high CH4 pressure. Based on various previous results and ours, we have successfully found that there are two selective growth modes for graphene on Cu substrate, and a desired mode can be chosen by tuning working pressure corresponding to the kind of carbon feedstock. We believe that this finding will shed light on high quality graphene growth and its multifaceted applications.

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Development of Biomolecular Device Using Biomolecular Film Part 1: Optical Biosensor to Detect the Ethanol Using Langmuir-Blodgett Film of Eilzyme Molecules (생체분자막을 이용한 생물분자소자의 개발 제1부 :효소분자 LB막을 이용한 에탄올 측정용 광학 바이오센서)

  • 최정우;배주연지용이원홍
    • KSBB Journal
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    • v.10 no.1
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    • pp.105-112
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    • 1995
  • The fiber-optic biosensor using enzyme-immobilized Langmuir-Blodgett film is developed fort the measurement of ethanol. The enzyme, alcohol dehydrogenase, is immobilized at the molecular level on the arachidic acid monolayer using Langmuir-Blodgett film technique. Based on the ordered multisubstrate mechanism, the immobilized enzyme kinetics is investigated. The optical sensing system is proposed, and sensor signal is proportional to ethanol concentration and is related wish the number of enzyme layers. As the number of deposited LB film layer increases up to 20 1ayers, the high ethanol concentration of 45mM can be measured without the saturation of signal. Surface pressure-area isotherm is measured for the three-different charged-lipids. Arachidic acid is the most suitable for the adsorption of alcohol dehydrogenase based on electrostatic force.

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Study on Pretreatment Methods to Prevent Tissue Softening of Heated Onion (가열 양파의 조직 연화 방지를 위한 전처리 방법에 관한 연구)

  • Choi, Jun-Bong;Cho, Won-Il
    • Korean Journal of Food Science and Technology
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    • v.47 no.1
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    • pp.56-62
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    • 2015
  • Various pretreatment methods were evaluated to prevent tissue softening of heated onion. Changes in onion tissue firmness during heating were explained by 3-mechanism model consisting of texture hardening at low temperature ($60-80^{\circ}C$) and substrate softening at high temperature. Preheating of onion in a $Ca^{2+}$-containing solution significantly improved its texture after high-temperature heating. The improvement of firmness by preheating at low temperature was related to the formation of strong cross-linking between carboxyl groups and $Ca^{2+}$ by the action of pectin methylesterase in onion. The highest firmness was obtained by pre-heating at $70^{\circ}C$ for 120 min in 0.5% calcium solution. This result was supported by chemical analysis showing that the amount of bound calcium was the highest at $70^{\circ}C$. Further investigation should be carried out to establish the optimal conditions to prevent the softening of various vegetables.

Removal of Arsenic from Leachate of Tailing using Laboratory-synthesized Zerovalent Iron

  • Kim, Soon-Oh;Jung, Young-Il;Cho, Hyen-Goo;Park, Won-Jeong;Kim, In-Seon
    • Journal of Applied Biological Chemistry
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    • v.50 no.1
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    • pp.6-12
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    • 2007
  • Feasibility of laboratory-synthesized zerovalent iron was investigated to remove arsenic from leachates of tailings taken from an Au-Ag abandoned mine. The tailings were seriously contaminated with arsenic, and its potential adverse effect on the ecosystems around the mine seems to be significantly high. Long-term column experiments were conducted for about 3.5 months to evaluate the effectiveness of the synthesized zerovalent iron for removal of arsenic. Over than 95% removal efficiency of As was observed in the zerovalent iron mediated tests. In addition, the XRD data suggest that the corrosion products of ZVI were identified magnetite, maghemite, goethite, and lepidocrocite, all of which support Fe(II) oxidation as an intermediate step in the zerovalent iron corrosion process. The results indicate that arsenic can be removed from the tailing-leachate by the mechanism of coprecipitation and/or adsorption onto those iron oxides formed from ZVI corrosion.

Encapsulation of 2,4-Dihydroxybenzophenone into Dodecylbenzenesulfonate Modified Layered Double Hydroxide for UV Absorption Properties

  • Li, Shifeng;Shen, Yanming;Liu, Dongbin;Fan, Lihui;Wu, Keke
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.392-396
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    • 2014
  • New organic-inorganic composite of 2,4-dihydroxybenzophenone (BP-1) encapsulation into dodecylbenzenesulfonate (DBS) modified layered double hydroxide (LDH) was successfully prepared. The surface, structural, thermal and absorption properties of the BP-1/DBS-LDH nanohybrid was characterized by BET analysis, scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TG) and diffuse reflectance UV-Vis absorbance spectra (DRUV-vis). The interlayer configuration of composite and the adsorption mechanism of BP-1 on MgAl-DBS-LDH were discussed. It was suspected that DBS anions located in the form of monolayer arrangement with a $75^{\circ}$ anti parallel angle between dodecylbenzenesulfonate chain axis. The diffuse reflectance UV-Vis absorbance results revealed that the UV absorbing wavelength of BP-1/DBS-LDH evidently extends to about 400 nm, which shows that the BP-1/DBS-LDH has the potential application as a UV absorber.

Kinetically Controlled Growth of Gold Nanoplates and Nanorods via a One-Step Seed-Mediated Method

  • Hong, Soonchang;Acapulco, Jesus A.I. Jr.;Jang, Hee-Jeong;Kulkarni, Akshay S.;Park, Sungho
    • Bulletin of the Korean Chemical Society
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    • v.35 no.6
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    • pp.1737-1742
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    • 2014
  • In this research, we further developed the one-step seed mediated method to synthesize gold nanoparticles (GNPs) and control their resulting shapes to obtain hexagonal, triangular, rod-shaped, and spherical gold nanostructures. Our method reveals that the reaction kinetics of formation of GNPs with different shapes can be controlled by the rate of addition of ascorbic acid, because this is the critical factor that dictates the energy barrier that needs to be overcome. This in turn affects the growth mechanism process, which involves the adsorption of growth species to gold nanoseeds. There were also observable trends in the dimensions of the GNPs according to different rates of addition of ascorbic acid. We performed further analyses to investigate and confirm the characteristics of the synthesized GNPs.

Photoelectrocatalytic Degradation of Dyes in Aqueous Solution Using CNT/TiO2 Electrode

  • Zhang, Feng-Jun;Liu, Jin;Chen, Ming-Liang;Oh, Won-Chun
    • Journal of the Korean Ceramic Society
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    • v.46 no.3
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    • pp.263-270
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    • 2009
  • The effect of photoelectrocatalytic (PEC) degradation for different dyes with the CNT/$TiO_2$ electrode was studied. The prepared electrode was characterized with surface properties, structural crystallinity, elemental identification, and PEC activity. The $N_2$ adsorption data showed that the composites had decreased surface area compared with the pristine CNT. This indicated the blocking of micropores on the surface of CNT, which was further supported by observation via FESEM. XRD patterns of the composites showed that the CNT/$TiO_2$ composite contained a mixing anatase and rutile phase. EDX spectra showed the presence of C, O and Ti peaks for all samples. The decomposition efifciency of the prepared electrode was evaluated by the PEC degradation of three dyes (methylene blue (MB), rhodamine B (RH.B), methyl orange (MO)). The variations of the FT-IR spectra and pH value of dye solutions were measured during the PEC system; it was found that the CNT/$TiO_2$ electrode has better PEC degradation for MB solution than that of RH.B and MO. The proposed degradation mechanism was present.