• Title/Summary/Keyword: $^{111}In$

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Magnetism during adsorption of oxygen in Pt segregated $Pt_3Ni$ (111): Density Functional Study

  • Kumar, Sharma Bharat;Kwon, O-Ryong;Odkhuu, Dorj;Hong, Soon-Cheol
    • 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.

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Evolution of Growth Orientation and Surface Roughness During Sputter Growth of AIN/Si(111) (스퍼터링 방법에 의한 AIN/Si(111)의 성장 방향과 표면 거칠기의 성장 시간에 대한 연구)

  • 이민수;이현휘;서선희;노동영
    • Journal of the Korean Vacuum Society
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    • v.7 no.3
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    • pp.237-241
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    • 1998
  • The growth orientation and the surface roughness of AIN/Si(111) films grown by radio frequency (RF) reactive magnetron sputtering were investigated using in-situ x-ray scattering technique and atomic force microscopy (AFM). AIN films were initially grown with the <001> preferred growth orientation under most growth conditions. As the film gets thicker, however, the growth orientation changes significantly, especially at high substrate temperature and high RF powers. We attribute the observed behavior to the competition between the surface energy that prefers the <001> growth orientation and the strain energy that randomizes the growth orientation. In addition, we investigated the evolution of the surface morphology during the growth using the x-ray reflectivity measurement.

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Preparation and Field-Induced Electrical Properties of Perovskite Relaxor Ferroelectrics

  • Fan, Huiqing;Peng, Biaolin;Zhang, Qi
    • Transactions on Electrical and Electronic Materials
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    • v.16 no.1
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    • pp.1-4
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    • 2015
  • (111)-oriented and random oriented $Pb_{0.8}Ba_{0.2}ZrO_3$ (PBZ) perovskite relaxor ferroelectric thin films were fabricated on Pt(111)/$TiO_x$/$SiO_2$/Si substrate by sol-gel method. Nano-scaled antiferroelectric and ferroelectric two-phase coexisted in both (111)-oriented and random oriented PBZ thin film. High dielectric tunability (${\eta}=75%$, E = 560 kV/cm) and figure-of-merit (FOM ~ 236) at room temperature was obtained in (111)-oriented thin film. Meanwhile, giant electrocaloric effect (ECE) (${\Delta}T=45.3K$ and ${\Delta}S=46.9JK^{-1}kg^{-1}$ at $598kVcm^{-1}$) at room temperature (290 K), rather than at its Curie temperature (408 K), was observed in random oriented $Pb_{0.8}Ba_{0.2}ZrO_3$ (PBZ) thin film, which makes it a promising material for the application to cooling systems near room temperature. The giant ECE as well as high dielectric tunability are attributed to the coexistence of AFE and FE phases and field-induced nano-scaled AFE to FE phase transition.

Growth of SiC film on SiNx/Si Structure (SiNx/Si 구조를 이용한 SiC 박막성장)

  • Kim, Gwang-Cheol;Park, Chan-Il;Nam, Gi-Seok;Im, Gi-Yeong
    • Korean Journal of Materials Research
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    • v.10 no.4
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    • pp.276-281
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    • 2000
  • Silicon carbide(SiC) films were grown on modified Si(111) surface with a SiNx in the NH$_3$surrounding. Thickness of SiC films was decreased with increasing of the nitridation time. Also, voids having crystal defects were removed at interface of SiC/Si according to growth parameters. SiC films were grown on SiNx/Si substrate of 100, 300 and 500nm thickness. SiC films were deposited along [111] direction and columnar grains of SiC crystal. The void-free film was observed in the interface of SiC/SiNx. This result suggests that fabrication of SiC devices are applied to SiNx replacing silicon oxide in SOI structure.

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An Extended $H\ddot{u}ckel$ Calculation on the Interaction of 1,3,5-Trithian with Ag(111) Surface

  • Park, Sang-Hyun;Kim, Ho-Jing
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.244-250
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    • 1993
  • The interaction of 1,3,5-trithian molecule with Ag(111) surface is studied employing Extended Huckel method. The Ag(111) surface is modeled by the three layer metal clusters composed of 43 Ag atoms. We assume that the 1,3,5-trithian is lying flat on Ag(111) surface in the chair conformation. The geometry of 1,3,5-trithian itself is assumed to be the same as in the gas phase, which is obtained through the AM1 SCF-MO calculation with full geometry optimization. The calculation for 3-fold site adsorption leads to the weakening of C-S bond, which is compatible with the observed 5 cm$^{-1}$ decrease of the C-S stretching frequency upon surface adsorption, while the on-top site adsorption leads to strengthening of C-S bond. The major component of the C-S bond of trithian is S $3p_{pi}\;(S\;3p_x+S\;3p_y)$ and therefore only the 3-fold site adsorption causes the weakening of this bond. In addition, it is found that the trithian molecule binds to the 3-fold site more strongly.

Phase Transformation in Epitaxial Growth of Galium Nitride by HVPE Process (HVPE법에 의한 질화갈륨 단결정막 성장시 상전이에 관한 연구)

  • Rakova, E.V.;Kuznetsov, A.V.;Kim, Hyang Sook;Lee, Sun Sook;Hwang, Jin Soo;Chong, Paul Joe
    • Korean Journal of Crystallography
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    • v.6 no.1
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    • pp.49-55
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    • 1995
  • The oriented islands of cubic galium nitride are grown on the (0001) surface of hexagonal GaN epitaxial films by halide vapour phase epitaxial process. The mutual orientation of cubic β-GaN and hexagonal α-GaN phase was observed as : [110](111) β-GaN//[1120](0001) α-GaN. Trigonally faced islands of β-GaN occupy the twined positions in relation to (111) plane in parallel to the film surface. The band gap value for β-GaN determuned from photo and local catchodoluminescent measurments is estimated to be 3.18±0.30eV at room temperature.

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Development of Restriction Fragment Length Polymorphism(RELP) Markers in Silkworm, Bombyx mori (누에 RFLP(제한단편 다형현상)마커 개발)

  • 고승주;김태산;이영승;황재삼;이상몽
    • Korean journal of applied entomology
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    • v.36 no.1
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    • pp.96-104
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    • 1997
  • A silkworm Bombyx mori genomic DNA library was constructed from polyphagous J111 strain and unpolyphagous $C_3$ strain to develop the genomic study by DNA makers. Genomic DNAs of two strains were digested with restriction enzyme EcoRI and ligated into pUC18. The ligated plasmids were transferred into E. coli host strain DH5$\alpha$. When the genomic DNAs were hybridized with insert DNAs from transformant, could be categorized from hybridization patterns to three groups as high repetitive sequence, moderately repetitive sequence, and low-copy number sequences. A total of 219 clones containing single or low-copy number sequence inserts were examined for any polymorphisms between two strains of J111 and $C_3$. Forty six clones showed RFLPs and 10 of these clones were used as a probe of analysis of $F_2$ population derived from crossing between J111 and $C_3$ strain. The genetic inheritance tested with each clones will be important tools to construct the genetic map of the silkworm, Bombyx mori.

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Convergent Study of Texture on the Mechanical Properties of Electrodeposits (구리 도금층의 기계적 성질에 미치는 집합조직의 융합연구)

  • Kang, Soo Young
    • Journal of the Korea Convergence Society
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    • v.7 no.6
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    • pp.193-198
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    • 2016
  • The texture of electrodeposits varies with deposition conditions. Texture of electrodeposits is also related to microstructure, surface morphology and mechanical properties. When the electrodeposits annealed, the recrystallization texture may be different from the original deposition texture. The surface morphology, the microstructure and the initial and recrystallization textures of copper electrodeposits vary with deposition conditions. The texture, microstructure, surface morphology and mechanical properties of electrodeposits are known to vary with electrolysis conditions, such as bath composition, over potential, pH, current density, bath temperature, etc. The (111) and (110) textures of copper electrodeposits can be obtained from copper sulfate bath. In this study, copper electrodeposits with (111) and (110) textures are obtained from a copper sulfate bath, and the change from (111) to (110) textures of copper electrodeposits can be explained.

Local Work-function Variation of the Initial Oxidation-Stages of Si(111)-7${\times}$7 (Si(111)-7${\times}$7 표면의 초기산화 단계에서의 국부 일함수 변화)

  • Im, Sam-Ho;Gu, Se-Jeong;Kim, Gi-Jeong;Park, Chan;Seo, Jae-Myeong
    • Journal of the Korean Vacuum Society
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    • v.2 no.2
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    • pp.166-170
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    • 1993
  • In the initial stages of oxidation of Si(111)-7${\times}$7 held at 40K through exposing molecular oxygen, it has been detected average work-function measured by ultraviolet photoelectron spectroscopy (UPS) is about 0.4eV higher than the local work-function of the modified area measured by photoemission for adsorbed Xenon (PAX). This result indicates that the increment of work-function at the initial oxidation stages of Si(111)-7${\times}$7 is mainly due to the moleculary adsorbed oxygen. From the shift of broadened Xe 5p and Xe 3d, it has also been estimated that the work-function of the modified area is 0.6eV higher than that of the clean area.

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Co-adsorption of Irreversibly Adsorbing Sb and Te on Pt(111)

  • Ku, Bon-Seong;Kim, Tae-Gon;Jung, Chang-Hoon;Zhao, Jisheng;Rhee, Choong-Kyun
    • Bulletin of the Korean Chemical Society
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    • v.26 no.5
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    • pp.735-739
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    • 2005
  • Presented is a voltammetric study of co-adsorption of irreversibly adsorbing Sb and Te on Pt(111). When a layer of Sb and Te was formed via simultaneous adsorption, the reduction peak of Te was observed at 0.30 V in the initial cathodic scan. In contrast, sequential adsorption of Sb followed by Te adsorption led to a Te reduction peak at 0.50 V in the initial scan. As the voltammetric scan was continued, in addition, the voltammogram of the simultaneously co-adsorbed layer changed, while that of the sequentially co-adsorbed layer did not. These observations are discussed in terms of formation of a homogeneously mixed layer and a layer consisting of heterogeneously separated domains of Sb and Te. Also, the difference in the adsorption strength of Sb and Te was observed.