• Bulletin of the Korean Chemical Society
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• v.32 no.spc8
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• pp.3127-3129
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• 2011

• Bulletin of the Korean Chemical Society
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• v.19 no.9
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• pp.993-999
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• 1998

Acid catalyzed hydrolysis of 1-phenoxyethyl propionate, Ⅰ, has been studied using the PM3 method in the gas phase. The first step of the reaction is the protonation of basic sites, three different oxygens in Ⅰ, producing three protonated species Ⅱ, Ⅲ and Ⅳ. All possible reaction pathways have been studied from each protonated structure. Changes in the reaction mechanisms have also been discussed from the results obtained by varying a nucleophile from a water monomer to a water dimer to a complex between one water molecule and an intermediate product (propionic acid or phenol) produced in the preceding unimolecular dissociation processes. Minimum energy reaction pathway is 2-W among the possible pathways, in which water dimer acts as an active catalyst and therefore facilitates the formation of a six-membered cyclic transition state. Lower barrier of 2-W is ascribed to an efficient bifunctional catalytic effect of water molecules. PM3-SM3.1 single point calculations have been done at the gas-phase optimized structure (SM3.1/PM3//PM3) to compare theoretical results to those of experimental work.

• Journal of Electrochemical Science and Technology
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• v.13 no.1
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• pp.120-127
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• 2022

Molybdenum disulfide (MoS₂) has been widely used as a catalyst for the bifunctional activities of hydrogen and oxygen evolution reactions (HER and OER). Here, we investigated size dependent HER and OER performance of MoS₂. The smallest size (90 nm) of MoS₂ exhibits the lowest overpotential of -0.28 V at -10 mAcm^-2 and 1.52 V at 300 mAcm^-2 with the smallest Tafel slopes of 151 and 176 mVdec^-1 for HER and OER, respectively, compared to bigger sizes (2 ㎛ and 6 ㎛) of MoS₂. The better HER and OER performance is attributed to high electrochemical active surface area (6 × 10^-4 cm²) with edge sites and low charge transfer resistance (18.1 Ω), confirming that the smaller MoS₂ nanosheets have the better catalytic behavior.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2010.11a
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• pp.793-794
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• 2010

Fischer-Tropsch(F-T) reaction, in which syngas($H_2+CO$) is transformed into liquid fuels, has attracted much attention recently due to the limited reservoir of petroleum. The formed F-T wax can be converted into various liquid fuels, such as gasoline, diesel, jet fuel, lubricants, etc., through the hydrocracking reaction. To carry out the hydrocracking reaction, the bifunctional catalyst is required, in which hydrogenation/dehydrogenation occurs over metal and cracking proceeds over solid acid sites. In this contribution, we review the reported hydrocracking catalysts and summarize some process variables (feed compositions, reaction temperature and reaction pressure) for each catalyst.

• Journal of Electrochemical Science and Technology
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• v.8 no.1
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• pp.7-14
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• 2017

This study aims to examine the influences of substrates/diffusion layers (DL) and oxygen reduction reaction catalysts ($M_{ORR}$) on the performance of $M_{ORR}/IrO_2$/DL-type bifunctional oxygen electrodes for use in polymer electrolyte membrane (PEM)-type unitized regenerative fuel cells (URFC). The $M_{ORR}/IrO_2$/DL electrodes were prepared via two sequential steps: anodic electrodeposition of $IrO_2$ on various DLs and fabrication of $M_{ORR}$ layers (Pt, Pd, and Pt-Ru) by spraying on $IrO_2/DL$. Experiments using different DLs, with Pt as the $M_{ORR}$, revealed that the roughness factor of the DL mainly determined the electrode performance for both water electrolyzer (WE) and fuel cell (FC) operations, while the contributions of porosity and substrate material were insignificant. When Pt-Ru was utilized as the $M_{ORR}$ instead of Pt, WE performance was enhanced and the electrode performance was assessed by analyzing round-trip efficiencies (${\varepsilon}_{RT}$) at current densities of 0.2 and $0.4A/cm^2$. As a result, using Pt-Ru instead of Pt alone provided better ${\varepsilon}_{RT}$ at both current densities, while Pd resulted in very low ${\varepsilon}_{RT}$. Improved efficiency was related to the additional catalytic action by Ru toward ORR during WE operation.

• 한국신재생에너지학회:학술대회논문집
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• 2009.11a
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• pp.171-171
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• 2009

The electrodes are usually made of a porous mixture of carbon-supported platinum and ionomers. $SnO_2$ particles provide as supports that have been used for DMFCs, and it have high catalytic activities toward methanol oxidation. The main advantage of $SnO_2$ supported electrodes is that it has strong chemical interactions with metallic components. The high activity to a synergistic bifunctional mechanism in which Pt provides the adsorption sites for CO, while oxygen adsorbs dissociative on $SnO_2$. The reaction between the adsorbed species occurs at the Pt/$SnO_2$ boundary. The morphological observations were characterized by FESEM and transmission electron microscopy (TEM). $SnO_2$ particles crystallinity was analyzed by the X-ray diffraction (XRD). The surface bonded state of the $SnO_2$ particles and electrode materials were observed by the X-ray photoelectron spectroscopy (XPS). The electric properties of the Pt/$SnO_2$ catalyst for methanol oxidation have been investigated by the cyclic voltametry (CV) in 0.1M $H_2SO_4$ and 0.1M MeOH aqueous solution. The peak current density of methanol oxidation was increased as the $SnO_2$ content in the anode catalysts increased. Pt/$SnO_2$ catalysts improve the removal of CO ads species formed on the platinum surface during methanol electro-oxidation.

• Applied Chemistry for Engineering
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• v.3 no.4
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• pp.722-729
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• 1992

Mg-and Zn-ferrites having spinel structure, a kind of complex oxides showing the advantageous properties of constituently single metal oxides, were selected to find a relationship between their catalytic activities in the dehydrogenation of ethylbenzene to styrene and the catalytic properties. For the structural and physical analyses of ferrites, XRD, BET, DTA, XPS, TEM and TPD methods were employed. Potassium added to the catalyst played a role of bifunctional promoter which brought the electronic effect as well as the structural one for the increment of particle dispersion. K-addition decreased acid strength of the catalyst by neutralization and increased its acidity. In the dehydrogenation of ethylbenzene, K-addition let the selectivity to styrene be constant throughout the reaction by the proper acid strength of the ferrite for the reaction, which could be obtained from the neutralization of strong acid sites by potassium.

• Clean Technology
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• v.18 no.4
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• pp.432-439
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• 2012

The electrocatalytic oxidation of CO was studied using carbon-supported 20 wt% PtRu (PtRu/C) catalysts, which were prepared with different Pt : Ru atomic ratios from 7 : 3 to 3 : 7 using a colloidal method combined with a freeze-drying procedure. The bimetallic PtRu/C catalysts were characterized by various physicochemical analyses, including X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). CO stripping voltammetry measurements indicated that the addition of Ru with a Pt catalyst significantly improved the electrocatalytic activity for CO electrooxidation. Among the tested catalysts, the $Pt_5Ru_5/C$ catalyst had the lowest onset potential (vs.Ag/AgCl) and the largest CO EAS. Structural modification via lattice parameter change and electronic modification in the unfilled d band states for Pt atoms may facilitate the electrooxidation of CO.

• 한국신재생에너지학회:학술대회논문집
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• 2007.06a
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• pp.141-145
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• 2007

Due to their excellent catalytic activity with respect to methanol oxidation on platinum at low temperature, platinum nanosized catalysts have been a topic of great interest for use in direct methanol fuel cells (DMFCs). Since pure platinum is readily poisoned by CO, a by-product of methanol electrooxidation, and is extremely expensive, a number of efforts to design and characterize Pt-based alloy nanosized catalysts or Pt nanophase-support composites have been attempted in order to reduce or relieve the CO poisoning effect. In this review paper, we summarize these efforts based upon our recent research results. The Pt-based nanocatalysts were designed by chemical synthesis and thin-film technology, and were characterized by a variety of analyses. According to bifunctional mechanism, it was concluded that good alloy formation with $2^{nd}$ metal (e.g., Ru) as well as the metallic state and optimum portion of Ru element in the anode catalyst contribute to an enhanced catalytic activity for methanol electrooxidation. In addition, we found that the modified electronic properties of platinum in Pt alloy electrodes as well as the surface and bulk structure of Pt alloys with a proper composition could be attributed to a higher catalytic activity for methanol electooxdation. Proton conducting contribution of nanosized electrocatalysts should also be considered to be excellent in methanol electrooxidation (Spillover effect). Finally, we confirmed the ensemble effect, which combined all above effects, in Pt-based nanocatalsyts especially, such as PtRuRhNi and $PtRuWO_{3}$, contribute to an enhanced catalytic activity.

• Transactions of the Korean hydrogen and new energy society
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• v.27 no.6
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• pp.677-684
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• 2016

Various commercially available gas diffusion layers (GDLs) from different manufacturers were used to prepare an air electrode using $La_{0.8}Sr_{0.2}CoO_3$ perovskite (LSCP) as the catalyst for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in an alkaline solution. Various GDLs have different physical properties, such as porosity, conductivity, hydrophobicity, etc. The ORR and OER of the resulting cathode were electrochemically evaluated in an alkaline solution. The electrochemical properties of the resulting cathodes were slightly different when compared to the physical properties of GDLs. Pore structure and conductivity of GDLs had a prominent effect and their hydrophobicities had a minor effect on the electrochemical performances of cathodes for ORR and OER.