• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.143.2-143.2
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• 2016

The influence of electric field on CO adsorbed on Pt(111) was investigated with reflection-absorption infrared spectroscopy (RAIRS) in ultrahigh vacuum system. The ice film capacitor method was used to apply electric field to the amorphous ice film with CO on Pt(111). Two systems were compared by measuring the change of the CO stretching vibrational mode under applied electric field; one is CO on Pt(111), and the other is CO buried inside an ice film on Pt(111). By comparing them, we were able to calculate the additional effect of adsorption of CO on Pt(111) on peak shift. The CO adsorbed on Pt(111) has shown larger peak shift than CO adsorbed with H2O when we applied stronger electric field. Additionally, the differences were observable when the applied electric field exceeds $1{\times}10V/m^8$.

• Proceedings of the Korean Magnestics Society Conference
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• 2012.11a
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• pp.172-172
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• 2012

A Pt-skin $Pt_3Ni$(111) surface was reported to show high catalytic activity. In this study, we investigated the magnetic properties and electronic structures of the various oriented surfaces of bulk-terminated and Pt-segregated $Pt_3Ni$ by using a first-principles calculation method. The magnetic moments of Pt and Ni are appreciably enhanced at the bulk-terminated surfaces compared to the corresponding bulk values, whereas the magnetic moment of Pt on the Pt-segregated $Pt_3Ni$(111) surface is just slightly enhanced because of the reduced number of Ni neighboring atoms. Spin-decomposed density of states shows that the dz2 orbital plays a dominant role in determining the magnetic moments of Pt atoms in the different orientations. The lowering of the d-band center energy (-2.22 eV to -2.46 eV to -2.51 eV to -2.65 eV) in the sequence of bulk-terminated (100), (110), (111), and Pt-segregated (111) may explain the observed dependence of catalytic activity on surface orientation. Our d-band center calculation suggests that an observed enhanced catalytic activity of a $Pt_3Ni$(111) surface originates from the Pt-segregation.

• Bulletin of the Korean Chemical Society
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• v.21 no.8
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• pp.779-784
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• 2000

Comparing the adsorption properties and dissociation on a Pt(111) iththat ona Fe(111) surface, we have con-sidered seven coordination modes of the adsorbed binding site: $di-${\sigma}$${\Delta}$\mu\pi/\mu$, 1-fbld,2-fold, and 3-fbld sites. On the Pt(111) surface, t he adsorbed binding site of carbon dioxide was strongestat the1-fold site and weakest at the $\pi/\mu-site.$ The adsorbed binding site on the Fe(111) surface was strongest at the di-бsite and weakest at the 3-fold site. We have found that the binding energy at each site that excepted 3-fold on the Fe(111) surface was stronger than the binding energy on the Pt(111) surface and that chemisorbed $CO_2bends$ because of metal mixing with $2\piu${\rightarrow}$6a_1CO_2orbital.$, The dissociation reaction occured in two steps, with an intermediate com-plex composed of atomic oxygen and ${\pi}bonding$ CO forming. The OCO angles of reaction intermediate com-plex structure for the dissociation reaction $were115^{\circ}Con$ the Pt(111), and $117^{\circ}C$ on the Fe(111) surface. We have found that the $CO_2dissociation$ rea11) surface proceeds easily,with an activationenergy about 0.2 eV lower than that on the Pt(111) surface.

• Proceedings of the Korean Magnestics Society Conference
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• 2011.12a
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• pp.14-14
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• 2011

Limited understanding of the surface properties of $Pt_3Ni$ for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cell (PEMFC) has motivated the study of magnetic properties and electronic structures of Pt segregated $Pt_3Ni$ (111) surface during adsorption of oxygen molecule on it. The first principle method based on density functional theory (DFT) is carried out. Nonmagnetic Pt has induced magnetic moment due to strong hybridization between Ni 3d and Pt 5d. It is found that an oxygen molecule prefers bridge site with Pt rich subsurface environment for adsorption on the surface of Pt segregated $Pt_3Ni$ (111). It is seen that there is very small charge transfer from $O_2$ to Pt. The curve of energy versus magnetic moment of the oxygen explains the magnetic moments in transition states. We found the dissociation barrier of 1.07eV significantly higher than dissociation barrier 0.77eV on Pt (111) suggesting that the dissociation is more difficult on Pt segregated $Pt_3Ni$ (111) surface. The spin polarized densities of states are presented in order to understand electronic structures of Pt and $O_2$ during the adsorption in detail.

• Bulletin of the Korean Chemical Society
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• v.23 no.3
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• pp.395-399
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• 2002

The voltammetric behavior of spontaneously adsorbing Mo layers on Pt(111) and Pt(100) electrodes has been studied to estimate the number of electrons involved in the electrochemical processes of spontaneously adsorbed Mo and the number of the bloc ked Pt sites for hydrogen adsorption. On Pt(111) and Pt(100) surfaces, the spontaneously adsorbed Mo layers showed redox peaks at 0.10 V and 0.15 V, respectively, and continuous current-potential waves in the conventional hydrogen region. Since the potential range of the Mo redox processes on both surfaces overlapped partially with the potential range of hydrogen adsorption, the variation in the ratio of the total charge of Mo and H ($Q_H$ +$Q_{MO}$) to the hydrogen charge of clean Pt electrode ($Q_H^0$) was analyzed. From the analysis, six electrons were estimated to be involved in the electrochemical processes of the spontaneously adsorbed Mo, and four Pt sites for hydrogen adsorption were calculated to be blocked by one adsorbed Mo atom. Based on these figures and the pH dependence of the Mo redox processes, we have proposed an electrochemical equation for the spontaneously adsorbed Mo. This electrochemical equation led us to conclude that the saturation coverage of the spontaneously adsorbed Mo is 0.25. The coverage of Mo less than 0.25, however, could not be determined voltammetrically due to the convolution of the charges of Mo and H.

• Journal of the Korean Magnetics Society
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• v.4 no.3
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• pp.263-271
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• 1994

We have produced $Co_{1-x}Pt_{x}(X\;=\;0.53\;and\;0.75)$ alloy films by DC magnetron sputtering at various substrate temperatures and sputtering pressures. Sputter-deposited Co-Pt alloy films showed a strong (111) texture, and the degree of (111) texture of the as-deposited film was found to depend on the substrate temperature and Ar pressure. However, we observed that the degree of (111) texture did not affect the magnetic properties. In addition, we have investigated the effect of heat-treatment on magnetic properties of these films. While the magnetic properties of the $Co_{0.25}Pt_{0.75}$ alloy films showed no noticeable changes, the coercivities and the squarenesses of the $Co_{0.47}Pt_{0.53}$ alloy films were drastically increased by annealing. Structural analysis using transmission electron microscopy(TEM) and x-ray diffractornetry(XRD) revealed that $CoPt(L1_{0})$ and $CoPt_3(L1_{2})$ ordered phases, respectively, were formed, each with a strong (111) texture. By comparing the magnetic properties between $CoPt(L1_{0})$ and $CoPt_3(L1_{2})$ ordered phases in relation to the atomic arrangements in a unit cell, we conclude that the magnetic anisotropy in the Co-Pt alloy system depends mainly on the atomic arrangements of Co and Pt.

• Journal of the Korean Chemical Society
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• v.40 no.4
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• pp.264-272
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• 1996

Cluster models of the Υ-Al2O3(111) and the Pt(111) surfaces have been used in an atom superposition and electron delocalization molecular orbital study of interfacial bond strengths between them. The reduced extents for Al3+ are due to the ratio of oxygen to aluminum atoms. The greater the reduced extent for Al3+ is, the stronger the binding energy is to Pt atoms in a cluster. The oxygen-covered surfaces of Υ-Al2O3(111) are shown to bind more weakly to Pt atoms, while the binding to the oxygen-covered surface formed under oxidizing conditions of Pt atoms is strong. The interfacial bond of platinum-alumina may be possible by a charge-transfer mechanism from the platinum surface to the partially empty O-2p band and Al3+ dangling surface orbital.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.332-332
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• 2011

The adsorption and desoprtion properties on Pt(111) of chiral molecules, propylene oxide (PO) and 1,3-dimethyl butylamine (DMBA), have be characterized in utrahigh vacuum. Precision-doses of PO and DMBA onto a Pt(111) surface at 90 K have been achieved with a directed tubular molecular doser controlled by a micron-sized orifice and the reservoir gas pressure. Temperature-programmed desorption (TPD) mass spectra have been employed together with low-energy electron diffraction (LEED) analyses. In addition to the separate adsorption behaviors of PO and DMBA, the enantioselective adsorption of R- and S-PO on Pt(111) precovered with R- or S-DMBA have been investigated thoroughly, and the results will be presented.

• Journal of the Korean Vacuum Society
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• v.7 no.4
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• pp.300-305
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• 1998

Crystallinity and structual properties of the epitaxially grown Pt films on $Al_2O_3$(0001) substrate by rf magnetron sputtering at a substrate temperature of $600^{\circ}C$ were studied by using backscattering spectrometry (BS)/channeling and transmission electron microscopy (TEM) measurements. $MeV^4$He ion BS/channeling results showed that the channeling minimum yield of Pt film with a thickness of 3500$\AA$ was 4%. This indicates an excellent crystallinity of Pt film. When the thickness of Pt film was less than 200 $\AA$, the channeling minimum yield of Pt film increased sharply with the decrease in film thickness. The Pt layer on $Al_2O_3$(0001) substrate grew epitaxially to the direction of (111) with six-fold symmetry. Cross-sectional TEM images also showed that Pt film on $Al_2O_3$(0001) substrate consist of twinned domains to release the strain induced by the lattice mismatch and the surface roughness of the film increased at the twin boundaries where the strain was contcentrated.

• Journal of the Korean Vacuum Society
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• v.17 no.3
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• pp.183-188
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• 2008

We have studied the chemisorption of oxygen at room temperature on Fe layers deposited on Pt(111) substrates by using core-level X-ray photoelectron spectroscopy. It was found that the oxygen atoms are chemisorbed when the thickness of the Fe layers is not larger than 6 monolayers. Upon post-annealing, it was found that part of the chemisorbed atoms are desorbed at a temperature range 600 - 700 K, after which the intermixing between Fe and Pt atoms occurs. The overall trend of this intermixing was very similar to the Fe/Pt(111) surface without oxygen exposure. The remaining oxygen adatoms, the amount of which is about a half of the total, were found to be eventually desorbed from the surface upon post-annealing at 1000 K. The binding energy of this phase was higher than that of the oxygen atoms desorbed at lower temperatures by 1.3 eV.