• 제목/요약/키워드: XAS

검색결과 54건 처리시간 0.022초

Electronic Structure of Ce-doped ZrO2 Film: Study of DFT Calculation and Photoelectron Spectroscopy

  • Jeong, Kwang Sik;Song, Jinho;Lim, Donghyuck;Kim, Hyungsub;Cho, Mann-Ho
    • Applied Science and Convergence Technology
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    • 제25권1호
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    • pp.19-24
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    • 2016
  • In this study, we evaluated the change of electronic structure during redox process in cerium-doped $ZrO_2$ grown by sol gel method. By sol-gel method, we could obtain cerium-doped $ZrO_2$ in high oxygen partial pressure and low temperature. After post annealing process in nitrogen ambient, the film is deoxidized. We used spectroscopic and theoretical methods to analysis change of electronic structure. X-ray absorption spectroscopy (XAS) for O K1-edge and Density Functional Theory (DFT) calculation using VASP code were performed to verify the electronic structure of the film. Also, high resolution x-ray photoelectron spectroscopy (HRXPS) for Ce 3d was carried out to confirm chemical bond of cerium doped $ZrO_2$. Through the investigation of the electronic structure, we verified as followings. (1) During reduction process, binding energy of oxygen is increase. Simultaneously, oxidation state of cerium was change to 4+ to 3+. (2) Cerium 4+ and cerium 3+ states were generated at different energy level. (3) Absorption states in O K edge were mainly originated by Ce 4+ $f_0$ and Ce 3+, while occupied states in valance band were mainly originated from Ce 4+ $f_2$.

Pd층의 두께 변화에 따른 [Co/Pd] 다층박막의 연엑스선 방사광 분광 연구 (Soft X-ray Synchrotron-Radiation Spectroscopy Study of [Co/Pd] Multilayers as a Function of the Pd Sublayer Thickness)

  • 김대현;이은숙;김현우;성승호;강정수;양승모;박해수;홍진표
    • 한국자기학회지
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    • 제26권4호
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    • pp.124-128
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    • 2016
  • 이 연구에서는 연 X선 광흡수 분광법(soft X-ray absorption spectroscopy: XAS)과 연 X선 자기 원편광 이색성(soft X-ray magnetic circular dichroism: XMCD)을 이용하여 수직자기이방성을 보이는 [$Co(2{\AA})/Pd(x{\AA})$] 형의 다층박막의 전자구조를 연구하였다(x = $1{\AA}$, $3{\AA}$, $5{\AA}$, $7{\AA}$, $9{\AA}$). Co 2p XAS와 XMCD 스펙트럼은 Pd 층의 두께 변화에 상관없이 서로 매우 유사하였으며, 또한 Co 금속의 Co 2p XAS와 XMCD 스펙트럼과도 매우 유사함이 관찰되었는데, 이러한 결과는 [$Co(2{\AA})/Pd(x{\AA})$] 다층박막에서 Co 이온들이 금속 결합을 하고 있다는 사실을 보여 준다. Co 2p XMCD 스펙트럼을 분석하여 두께에 따른 궤도 자기모멘트(orbital magnetic moment)와 스핀 자기모멘트(spin magnetic moment) 의 크기를 결정하였다. 이 결과에 의하면 Pd 층의 두께(x)가 $1{\AA}$에서 $3{\AA}$으로 증가할 때, 궤도 자기모멘트가 가장 크게 증가하였으며, $x{\geq}3{\AA}$ 이상의 영역에서는 별 다른 변화가 없었다. 이러한 결과는 [$Co(2{\AA})/Pd(x{\AA})$] 다층박막의 계면에서의 스핀-궤도 상호작용이 수직자기 이방성에 매우 중요한 역할을 한다는 사실을 나타낸다.

pH 4와 10에서의 3가 비소와 Two-Line Ferrihydrite의 표면반응에 대한 X선 흡수 분광 연구 (X-ray Absorption Spectroscopy Study on Surface Interaction of Arsenite onto Two-Line Ferrihydrite at pHs 4 and 10)

  • 이우춘;최선희;조현구;김순오
    • 한국광물학회지
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    • 제24권2호
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    • pp.73-82
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    • 2011
  • 본 연구에서는 자연에서 산출빈도가 높은 3가 비소(아비산염)와 two-line ferrihydrite와의 표면흡착반응의 기작을 살펴보기 위하여 3가 비소를 흡착시킨 two-line ferrihydrite에 대한 X선 흡수분광 분석을 수행하였다 연구에 사용된 two-line ferrihydrite는 실험실에서 합성하여 사용하였으며, 산성과 염기성 환경에서의 표면반응 기작을 비교하기 위하여 pH 4와 10에서 연구를 수행하였다. 또한 각 pH 조건별 3가 비소의 흡착농도에 따른 표면반응의 차이를 비교 평가하였다. X선 흡수분광 분석결과에서 얻은 EXAFS 영역에서의 비소 3가에 대한 구조 변수들을 살펴보면 As-O 배위수는 3.1~3.3개 거리는 1.74~1.79 ${\AA}$으로 two-line ferrihydrite 표면에 흡착된 As(III) complex의 구조 단위체가 $AsO_3$임이 확인되었다. As(III)-Fe쌍은 주로 안정된 형태의 bidentate binuclear comer-sharing ($^2C$)의 결합구조를 갖는 것으로 나타났으며, bidentate mononuclear edge-sharing ($^2E$)와 $^2C$가 혼합된 결합구조도 공존하는 것으로 조사되었다. pH 4에서는 흡착농도에 따라 다른 표면구조를 가지는 반면, pH 10에서는 흡착 농도에 상관없이 동일한 표면구조를 보이는 것으로 나타났다. 이러한 결과는 3가 비소와 two-line ferrihydrite의 표면반응은 pH와 농도에 의해서 영향을 받는다는 거시적인(macroscopic) 흡착실험 연구결과가 미시적인(microscopic) X선 흡수분광 결과에 의해서 해석될 수 있음을 의미한다.

Advanced Analysis Techniques for Oxide Cathodes

  • Je, Jung-Ho;Kim, In-Woo;Seol, Seung-Kwon;Kwon, Yong-Bum;Cho, Chang-Sik;Weon, Byung-Mook;Park, Gong-Seog;Hwang, Cheol-Ho;Hwu, Yeukuang;Tsai, Wen-Li
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2003년도 International Meeting on Information Display
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    • pp.1155-1156
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    • 2003
  • The advanced analysis techniques such as high resolution X-ray absorption spectroscopy (XAS), X-ray scattering, and photoelectron emission microscope (PEEM) using synchrotron radiation are probably able to open new opportunities for improving the performances of oxide cathodes with more clear and deep understanding.

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Soft X-ray Spectroscopy of ClAlPc/Pentacene/ITO Interfaces: Role of ClAlPc on Energetic Band Alignment

  • 김민수;허나리;이상호;조상완
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.190.1-190.1
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    • 2014
  • The interfacial electronic structure of a bilayer of chloroaluminum phthalocyanine (ClAlPc) and pentacene grown on indium tin oxide (ITO) has been studied using synchrotron radiation-excited photoelectron spectroscopy. The energy difference between the highest occupied molecular orbital (HOMO) level of the pentacene layer and the lowest unoccupied molecular orbital (LUMO) level of the ClAlPc layer (EDHOMO - EALUMO) was determined and compared with that of C60/pentacene bilayers. The EDHOMO - EALUMO of a heterojunction with ClAlPc was found to be 1.4 eV, while that with C60 was 1.0 eV. This difference is discussed in terms of the difference of the ionization energy of each acceptor materials. We also obtained the complete energy level diagrams of ClAlPc/pentacene/ITO and C60/pentacene/ITO, respectively.

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방사광 이용 표면분석 총론

  • 황찬용
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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    • pp.79-79
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    • 2012
  • 방사광이 고체물리의 연구에 이용되기 시작한 60년대 말 이후부터 지난 반세기동안 방사광시설과 이를 이용한 분석 장치들은 큰 발전이 거듭되어 왔다. 90년대에는 포항가속기 연구소에서 방사광을 이용한 실험 시설이 완공되어 지난 20 여년간 이용되어 왔고 현재는 이시설이 업그레이드(PLS II) 되어 조만간 다시 이용자에게 공개될 예정이다. 연 x-선의 경우 광전자를 분석하게 되면 시료의 표면으로부터 1 nm - 수십 nm 두께의 현상에 대한 분석이 가능하다. 경 x-선(수 keV 이상의 에너지를 갖는)의 경우는 비교적 큰 penetration depth를 갖지만 grazing incidence를 이용하게 되면 수 나노 이하의 두께에서 일어나는 현상에 대한 연구가 가능하다. 본 tutorial에서는 전자의 에너지 영역인 VUV영역에서 가능한 방사광을 이용한 여러 가지 표면분석법(XPS, MCD, XAS, ARPES, SPEM, PEEM등)에 대한 세부강의를 제공하고자 한다. 총론에서는 경 x-선을 포함하는 방사광을 이용한 표면분석기술이 어디까지 발전되어 왔고 어느 수준까지 분석이 가능한지에 대한 전체적인 view를 제공하고자 한다. 본 tutorial은 이제 막 방사광을 이용한 연구를 수행하려는 연구자들, 지금까지 특정 분석기술을 사용한바 있는 연구자들, 그리고 여러 가지 방사광이용 표면분석방법에 대한 이해가 필요한 소재 혹은 소자의 개발자들에 좋은 배움의 기회가 될 것입니다.

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Study of CO Oxidation on Well-Characterized Pt-Ru/C Electrocatalysts Having Different Composition

  • Min, Myoung-Ki;Kim, Joo-Hoon;Kim, Ha-Suck
    • Bulletin of the Korean Chemical Society
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    • 제31권1호
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    • pp.151-156
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    • 2010
  • In this paper, we characterized bimetallic Pt-Ru/C alloy catalysts having four different compositions and compared the catalytic activities of the prepared alloys for CO oxidation. ICP-AES, EDS, XRD, TEM, and XAS were used to investigate the composition, degree of alloying, particle size, and electronic structure of the prepared Pt-Ru/C catalysts. Those results indicated the synthesis of the alloy catalysts with intended composition and uniform size. The electrochemical study of the characterized alloys showed higher catalytic activity for CO oxidation than that of the commercial Pt/C (E-TEK, Inc., 20 wt %) catalyst. Especially, it was shown that the alloy catalyst with Ru composition of 50 atomic % gave the highest catalytic activity for CO oxidation.

Synthesis and Characterization of New Macroporous SnO2 Foams

  • Choi, Moon-Hyung;Paek, Seung-Min
    • Bulletin of the Korean Chemical Society
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    • 제34권5호
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    • pp.1388-1390
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    • 2013
  • Macroporous $SnO_2$ foam was successfully synthesized via a simple soft-chemical route by hybridization between alkylamine and tin(IV) oxide. According to X-ray diffraction (XRD) analysis, the as-prepared $SnO_2$ foam had a highly ordered lamella structure along the crystallographic c-axis, which transformed to a rutile phase after thermal treatment at $300^{\circ}C$. X-ray absorption spectroscopy (XAS) at the Sn K-edge revealed that $SnO_2$ particles in the hybrid material maintained their nanosized structure after hybridization with alkylamine. Scanning electron microscope (SEM) images clearly showed that the as-prepared $SnO_2$ foam had a macroporous structure. This synthetic route can be extended to the development of open frameworks with good electrochemical properties in battery applications.

Trimeric Chromium Oxyformate Route to Chromia-Pillared Clay

  • 윤주병;황성호;최진호
    • Bulletin of the Korean Chemical Society
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    • 제21권10호
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    • pp.1049-1051
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    • 2000
  • A chromia-pillared clay has been prepared by ion exchange type intercalation reaction between the sodium ion in montmorillonite and the trimeric chromium oxyformate (TCF) ion, and by subsequent heat-treatment. The structural and thermal properties have been systematically studied by thermal analysis, powder XRD, IR spec-troscopy, and XAS. The gallery height of~6.8 $\AA$ upon intercalation of the TCF ion suggests that the $Cr_3O$ plane is parallel to the aluminosilicate layers. Even though the basal spacing of TCF intercalated clay decreases slightly upon heating, the layer structure was retained up to $550^{\circ}C$ as confirmed by XRD and TG/DTA. Ac-cording to the EXAFS spectroscopic analysis, it is identified that the (Cr-Cr) distance of 3.28 $\AA$ between vertex-linked CrO6 octahedra in TCF splits into 2.64 $\AA$, 2.98 $\AA$, and 3.77 $\AA$ due to the face-, edge-, and corner-shared CrO6 octahedra after heating at $400^{\circ}C$, implying that a nano-sized chromium oxide phase was stabilized within the interlayer space of clay.

Effects of Sulfur Substitution on Chemical Bonding Nature and Electrochemical Performance of Layered LiMn0.9Cr0.1O2-xSx

  • Lim, Seung-Tae;Park, Dae-Hoon;Lee, Sun-Hee;Hwang, Seong-Ju;Yoon, Young-Soo;Kang, Seong-Gu
    • Bulletin of the Korean Chemical Society
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    • 제27권9호
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    • pp.1310-1314
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    • 2006
  • Sulfur-substituted $LiMn_{0.9}Cr_{0.1}O_{2-x}S_x$ $(0\;\leq\;x\;\leq\;0.1)$ layered oxides have been prepared by solid state reaction under inert atmosphere. From powder X-ray diffraction analyses, all the present lithium manganates were found to be crystallized with monoclinic-layered structure. Electrochemical measurements clearly demonstrated that, in comparison with the pristine $LiMn_{0.9}Cr_{0.1}O_2$, the sulfur-substituted derivatives exhibit smaller discharge capacities for the entire cycle range but the recovery of discharge capacity after the initial several cycles becomes faster upon sulfur substitution. The effect of the sulfur substitution on the chemical bonding nature of $LiMn_{0.9}Cr_{0.1}O_{2-x}S_x$has been investigated using X-ray absorption spectroscopic (XAS) analyses at Mn and Cr K-edges. According to Mn K-edge XAS results, the trivalent oxidation state of manganese ion remains unchanged before and after the substitution whereas the local structure around manganese ions becomes more distorted with increasing the substitution rate of sulfur. On the other hand, the replacement of oxygen with sulfur has negligible influence on the local atomic arrangement around chromium ions, which is surely due to the high octahedral stabilization energy of $Cr^{+III} $ ions. Based on the present experimental findings, we have suggested that the decrease of discharge capacity upon sulfur substitution is ascribable to the enhanced structural distortion of $MnO_6$ octahedra and/or to the formation of covalent Li-S bonds, and the accompanying improvement of cyclability would be related to the depression of Mn migration and/or to the pillaring effect of larger sulfur anion.