• 제목/요약/키워드: Near-edge X-ray absorption fine structure

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비소 및 중금속 오염토양 안정화 분야에서의 X선 흡수분광법(XAS) 활용 (Application of X-ray Absorption Spectroscopy (XAS) in the Field of Stabilization of As and Heavy Metal Contaminated Soil)

  • 임정은;문덕현;김권래;옥용식
    • Journal of Applied Biological Chemistry
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    • 제58권1호
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    • pp.65-74
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    • 2015
  • X선 흡수분광법(X-ray absorption spectroscopy, XAS)을 이용하는 X선 흡수미세구조(X-ray absorption fine structure, XAFS)의 분석은 다양한 학문분야에서 적용되고 있다. 본 연구에서는 XAFS 분석을 위한 토양 시료의 준비에서부터 XAFS 측정 후 X선 흡수 끝머리 부근 미세구조(X-ray absorption near edge structure, XANES) 및 광범위 X선 흡수 미세구조(extended Xray absorption fine structure, EXAFS) 데이터를 추출하여 연구에 활용하는 것에 대해 간략하게 소개하였다. 특히 토양환경 분야에서 XANES 및 EXAFS 분석을 활용한 선행연구들에 대해 비소(As) 및 중금속 주요 원소(Cd, Cu, Ni, Pb, Zn)별로 그 내용을 정리하였다. 토양환경 분야에서 XAFS의 응용은 납(Pb)의 화학종 규명에 관한 연구가 가장 많은 것으로 나타났다. 이와 함께 대부분의 연구들은 오염토양 내 중금속 화학종의 규명을 통해 중금속의 유입 원인 등에 대해 기술하고 있으며, 이를 정화하기 위한 다양한 방법들(개량제 처리, 식물정화)을 적용한 후, 안정화된 중금속 화학종을 XANES 및 EXAFS 분석을 통해 규명하여 정화 방법들의 효율성과 안정성에 대해 보고하였다.

In situ Structural Investigation of Iron Phthalocyanine Monolayer Adsorbed on Electrode Surface by X-ray Absorption Fine Structure

  • 김성현;;강광훈
    • Bulletin of the Korean Chemical Society
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    • 제21권6호
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    • pp.588-594
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    • 2000
  • Structural changes of an iron phthalocyanine (FePC) monolayer induced by adsorption and externally applied potential on high area carbon surface have been investigated in situ by iron K-edge X-ray absorption fine structure (XAFS) in 0.5 M $H_2S0_4.$ Fine structures shown in the X-ray absorption near edge structure (XANES) for microcrystalline FePC decreased upon adsorption and further diminished under electrochemical conditions. Fe(II)PC(-2) showed a 1s ${\rightarrow}$ 4p transition as poorly resolved shoulder to the main absorption edge rather than a distinct peak and a weak 1s ${\rightarrow}$ 3d transition. The absorption edge position measured at half maximum was shifted from 7121.8 eV for Fe(lI)PC(-2) to 7124.8 eV for $[Fe(III)PC(-2)]^+$ as well as the 1s ${\rightarrow}$ 3d pre-edge peak being slightly enhanced. However, essentially no absorption edge shift was observed by the 1-electron reduction of Fe(Il)PC(-2), indicating that the species formed is $[Fe(II)PC(-3)]^-$. Structural parameters were obtained by analyzing extended X-ray absorption fine structure (EXAFS) oscillations with theoretical phases and amplitudes calculated from FEFF 6.01 using multiple-scattering theory. When applied to the powder FePC, the average iron-to-phthalocyanine nitrogen distance, d(Fe-$N_p$) and the coordination number were found to be 1.933 $\AA$ and 3.2, respectively, and these values are the same, within experimental error, as those reported ( $1.927\AA$ and 4). Virtually no structural changes were found upon adsorption except for the increased Debye-Wailer factor of $0.005\AA^2$ from $0.003\AA^2.$ Oxidation of Fe(II)PC(-2) to $[Fe(III)PC(-2)]^+$ yielded an increased d(Fe-Np) (1 $.98\AA)$ and Debye-Wailer factor $(0.005\AA^2).$ The formation of $[Fe(II)PC(-3)]^-$, however, produced a shorter d(Fe-$N_p$) of $1.91\AA$ the same as that of crystalline FePC within experimental error, and about the same DebyeWaller $factor(0.006\AA^2)$.

Local Structure Refinement of the $BaFe_{1-x}Sn_xO_{3-y}$ System with Fe K-Edge X-Ray Absorption (XANES/EXAFS) Spectroscopy

  • 김민규;곽기섭;로권선;여철현
    • Bulletin of the Korean Chemical Society
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    • 제18권7호
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    • pp.743-749
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    • 1997
  • Local structure refinement of the BaFe1-xSnxO3-y system (x=0.00-0.50) has been carried out with Fe K-edge x-ray absorpion spectroscopic studies. It is found out that the Fe ions are placed in two different symmetric sites such as tetrahedral and octahedral sites in the compounds by comparison with Fe K-edge x-ray absorption near edge structure (XANES) spectrum of the γ-Fe2O3 compound as a reference. Small absorption peaks of dipole-forbiden transitions appear at a pre-edge region of 7111 eV due to the existence of Fe ions in the tetrahedral and octahedral sites. The peak intensity decreases with the substitution amount of Sn ion. Three different absorption peaks of 1s→4p dipole-allowed transition appear on the energy region between 7123 and 7131 eV. The peaks correspond to 1s→4p main transition of Fe ions in tetrahedral and octahedral sites and 1s→4p transition followed by the shakedown process of ligand to metal charge transfer. The bond distances between Fe ions in the tetrahedral site and nearest neighboring oxygen atom (Fe-4O), and those in octahedral site (Fe-6O) are determined with the extended x-ray absorption fine structure (EXAFS) analysis. Two different interatomic distances increase with the substitution amount of Sn ion and also the bond lengths of Fe-4O are shorter than those of Fe-6O in all compounds.

단결정 그라핀 위에서의 퓨란의 고리모양 형성 (Ring Formation of Furan on Epitaxial Graphene)

  • 김기정;양세나;박영찬;이한구;김봉수;이한길
    • 한국진공학회지
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    • 제20권4호
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    • pp.252-257
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    • 2011
  • 본 연구 그룹은 6H-SiC (0001)에서 성장시킨 그라핀 층에 흡착된 퓨란(furan)의 고리 형성과 전자적 성질을 원자 힘 현미경(Atomic Force Microscope : AFM), C K-edge에 대한 Near Edge X-ray Absorption Fine Structure (NEXAFS) 스펙트럼, 핵심부 준위 광전자 분광스펙트럼(Core-level Photoemission Spectroscopy : CLPES)을 이용하여 연구했다. 우리는 그라핀위에 흡착된 퓨란 분자들이 화학적 도핑이 가능한 산소기의 홀 전자쌍을 통하여 그라핀의 특성을 조절할 수 있는 화학적 기능화에 이용될 수 있다는 것을 알아냈다. 또한, 퓨란이 자발적으로 세 가지의 다른 결합 구조들 중 하나로 고리를 형성한다는 것과 그라핀 위에 퓨란에 의해 형성된 고리의 전자적 성질들이 AFM, NEXAFS, CLPES를 이용하여 각각 설명될 수 있다는 것을 보여주었다.

벤토나이트에 첨가한 은 이온에 의한 아이오딘 이동 저지 메커니즘 규명을 위한 X-선 흡수 스펙트라 분석 (X-ray Absorption Spectra Analysis for the Investigation of the Retardation Mechanism of Iodine Migration by the Silver Ion Added to Bentonite)

  • 김승수;김민규;백민훈;최종원
    • 방사성폐기물학회지
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    • 제8권3호
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    • pp.201-205
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    • 2010
  • 고준위방사성폐기물에서 유출되어 나오는 아이오딘의 이동을 저지하기 위하여 은을 흡착시킨 벤토나이트 블록에 NaI 용액을 흘려주었을 때 대부분의 아이오딘이 흡착되었다. 이 은이온에 의한 아이오딘의 저지 메커니즘을 상세히 조사하기 위하여 아이오딘과 접촉하기 전후의 은이 흡착된 벤토나이트의 X-ray Absorption Near Edge Structure (XANES)와 Extended X-ray Absorption Fine Structure (EXAFS) 스펙트 럼과 표준물질로서 AgO, $Ag_2O$, AgI의 스펙트럼을 비교하였다. 그 결과, 벤토나이트에 흡착되었던 은이 떨어져 나와 AgI 침전 클러스터를 형성함으로서 아이오딘의 이동이 지연되는 것으로 생각된다.

Design of an Electron Ohmic-Contact to Improve the Balanced Charge Injection in OLEDs

  • 박진우;임종태;염근영
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.283-283
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    • 2011
  • The n-doping effect by doping metal carbonate into an electron-injecting organic layer can improve the device performance by the balanced carrier injection because an electron ohmic contact between cathode and an electron-transporting layer, for example, a high current density, a high efficiency, a high luminance, and a low power consumption. In the study, first, we investigated an electron-ohmic property of electron-only device, which has a ITO/$Rb_2CO_3$-doped $C_{60}$/Al structure. Second, we examined the I-V-L characteristics of all-ohmic OLEDs, which are glass/ITO/$MoO_x$-doped NPB (25%, 5 nm)/NPB (63 nm)/$Alq_3$ (32 nm)/$Rb_2CO_3$-doped $C_{60}$(y%, 10 nm)/Al. The $MoO_x$doped NPB and $Rb_2CO_3$-doped fullerene layer were used as the hole-ohmic contact and electron-ohmic contact layer in all-ohmic OLEDs, respectively, Third, the electronic structure of the $Rb_2CO_3$-doped $C_{60}$-doped interfaces were investigated by analyzing photoemission properties, such as x-ray photoemission spectroscopy (XPS), Ultraviolet Photoemission spectroscopy (UPS), and Near-edge x-ray absorption fine structure (NEXAFS) spectroscopy, as a doping concentration at the interfaces of $Rb_2CO_3$-doped fullerene are changed. Finally, the correlation between the device performance in all ohmic devices and the interfacial property of the $Rb_2CO_3$-doped $C_{60}$ thin film was discussed with an energy band diagram.

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Electronic structure studies of Co-substituted FINEMET alloys by x-ray absorption spectroscopy

  • Chae, K.H.;Gautam, S.;Song, J.H.;Kane, S.N.;Varga, L.K.
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2009년도 제38회 동계학술대회 초록집
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    • pp.377-377
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    • 2010
  • FINEMET type nanocrystalline materials synthesized by controlled crystallization of amorphous ribbons[1] exhibit excellent soft magnetic properties making them attractive for technological applications. Present work reports the electronic structure studies of Co-substituted FINEMET to get information on the effect of successive Co substitution on local environment around Fe and Co atom by using near edge x-ray absorption fine structure (NEXAFS) and x-ray magnetic circular dichroism (XMCD) measurements. NEXAFS spectroscopy and XMCD measurements have been carried out at Fe $L_{3,2}$ and Co $L_{3,2}$-edges to investigate the chemical states and electronic structure of FINEMET [$(Fe_{100-x}Co_x)_{78}Si_9Nb_3Cu_1Ba$](0$L_{3,2}$-edge reveal that Fe is in 2+ state and in tetrahedral symmetry with other elements. The magnetic properties exhibiting soft magnetic behavior[2] are discussed on the basis of the electronic structure studied through XMCD.

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Distribution of Co Ions in Ferromagnetic Zn (1-x) Co (x)O Films

  • 박창인;서수영;김정란;한상욱
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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    • pp.166-166
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    • 2012
  • We examined the distribution of Co ions of ferromagnetic n-type Zn(1-x)Co(x)O semiconducting films with the Co concentrations of 0.03~0.07 using x-ray absorption fine structure (XAFS) measurements at the Co and Zn K edges. Extended XAFS (EXAFS) revealed that Co ions mainly occupied the zinc sites of the films. X-ray absorption near edge structure (XANES) spectra demonstrated that the pre-edge peak of the Co K edge was substantially affected by the second neighboring Co ions at the zinc sites due to hybridizing of the Co 4p conduction electrons with the Co 3d bounded electrons. From XANES and EXAFS analysis using ab initio calculations, we found that Co ions uniformly occupied the zinc sites of the Zn (0.93) Co (0.07)O film, whereas the Co ions of the Zn (0.97) Co (0.03)O and Zn (0.95) Co (0.05)O films were substituted at localized zinc sites. The ferromagnetic properties of the Zn (0.93) Co(0.07)O film could be induced by direct interaction between the magnetic dipoles of the Co ions with a mean distance of 4.3 A or by Co 4p electron mediation.

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