• 제목/요약/키워드: Rietveld Method

검색결과 92건 처리시간 0.022초

LiFe0.9Mn0.1PO4 물질의 결정구조 및 뫼스바우어 분광 연구 (Studies on Crystallographic and Mossbauer Spectra of the LiFe0.9Mn0.1PO4)

  • 권우준;이인규;이찬혁;김삼진;김철성
    • 한국자기학회지
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    • 제22권1호
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    • pp.15-18
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    • 2012
  • Olivine 구조인 $LiFe_{0.9}Mn_{0.1}PO_4$ 분말 시료를 직접합성법(solid state method) 으로 제조하였으며, 결정학적 및 자기적 특성을 x-선 회절(x-ray diffractometer), 초전도 양자 간섭계(superconducting quantum interference devices) 및 뫼스바우어 분광(M$\ddot{o}$ssbauer spectroscopy) 실험을 이용하여 연구하였다. $LiFe_{0.9}Mn_{0.1}PO_4$ 시료의 결정구조는 공간그룹이 Pnma인 orthorhombic 구조임을 Rietveld 정련법으로 분석하였다. $LiFe_{0.9}Mn_{0.1}PO_4$ 시료의 닐온도 (N$\acute{e}$el temperature; $T_N$)는 50 K으로 나타내었고 닐온도에서 자기 상전이가 일어나는 것을 초전도 양자 간섭계 실험을 통하여 확인하였다. Fe(Mn)-O 이온간 거리를 분석하여 $FeO_6(MnO_6)$ 팔면체 구조가 비대칭임을 확인하였고 그 구조로 인하여 강한 결정장에 영향을 받으며, 닐온도 이상에서 자기 2중극자 상호작용은 사라지고, 강한 결정장에 의한 전기 4중극자 작용만이 존재하여 두 개의 흡수선이 나타나는 것을 뫼스바우어 분광 실험을 통하여 분석하였다.

Polymer Films with Electrospray Deposition, model and experiment

  • Rietveld Ivo B.;Kobayashi Kei;Yamada Hirofumi;Matsushige Kazumi
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.284-284
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    • 2006
  • Electrospray deposited films of poly(vinylidene fluoride) were prepared with various conditions. A model has been developed, which provides the state of the electrosprayed droplet at impact. With a combination of the experimental films and the model calculations, it can be shown that growth rate, the increase of the sprayed solution on the substrate per second, defines the film morphology in electrospray deposition. Growth rate indicates which factors play the main role in the film formation process. The most important factors are liquid flow, surface tension and shear rate. The model can calculate the shear rate and it is shown that PVDF, and most likely polymers in general, has a large range of growth rates, where the morphology only depends on the shear rate of the depositing droplet. This method can also be used to describe electrospray deposition of other compounds.

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Effect of Mo-doped LiFePO4 Positive Electrode Material for Lithium Batteries

  • Oh, Seung-Min;Sun, Yang-Kook
    • Journal of Electrochemical Science and Technology
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    • 제3권4호
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    • pp.172-177
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    • 2012
  • Mo-doped $LiFePO_4$ was synthesized via co-precipitation method using sucrose as the carbon source. Structure, surface morphology, and the electrochemical properties of the synthesized olivine compounds were investigated using Rietveld refinement of X-ray diffraction data (XRD), scanning electron microscopy (SEM), and electrochemical charge-ischarge tests. Spherical morphology with the particle size of ${\sim}8{\mu}m$ authenticated the enhanced tap density and volumetric energy density of the synthesized materials. Charge-discharge behavior of $LiFePO_4$ and Mo-doped $LiFePO_4$ cells demonstrated a specific capacity of 130 and 145 mAh $g^{-1}$, respectively. Mo-doped $LiFePO_4$ cells exhibited an excellent discharge capacity at 96 mAh $g^{-1}$ at 7 C-rate.

수소 동위체의 분리농축을 위한 수소저장합금의 수소 동위체 효과 (Hydrogen Isotope Effects in Hydrogen Storage Alloy for Separation and Concentration of Hydrogen Isotopes)

  • 조성욱
    • 한국수소및신에너지학회논문집
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    • 제14권4호
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    • pp.327-334
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    • 2003
  • 경수소와 중수소를 사용하여 Ti1.0Mn0.9V1.1합금의 경우 313K와 353 K에서, $Ti_{1.0}Cr1.5V_{1.1}$합금의 경우 313 K와 338K에서 각각 수소 동위체 효과를 조사하였다. 합금의 결정구조, 각 상의 존재량, 격자상수 등은 Rietveld method에 의해 결정되었다. 두 합금 모두 용도에 관계 없이 중수소의 흡장량이 경수소에 비하여 많았고, 이들 합금의 수소 동위체 효과는 LaNis 합금에 비하여 대단히 크게 나타났다. 실험 온도 범위에서 $Ti_{1.0}Mn_{0.9}V_{1.1}$합금의 경수소화물은 중수소화물에 비하여 안정하였고, Ti1.0Cr1.5V1.7합금에 있어서는 중수소화물이 더욱 안정하였다. 또한 $Ti_{1.0}Cr_{1.5}V_{1.7}$합금이 $Ti_{1.0}Mn_{0.9}V_{1.1}$합금보다 많은 량의 경수소와 중수소를 흡장하였다.

Mössbauer Study of Two Discernable Fe Sites in CaFe2O4

  • Yoon, Sung-Hyun
    • Journal of Magnetics
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    • 제14권2호
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    • pp.86-89
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    • 2009
  • Structural and magnetic properties of polycrystalline $CaFe_2O_4$ prepared by the solid state reaction method were studied using powder X-ray diffraction (XRD) and $M{\ddot{o}}ssbauer$ spectroscopy. The structure of $CaFe_2O_4$ belongs to an orthorhombic system (space group: Pnma) with the lattice parameters $a=9.2373\;{\AA}$, $b=3.0237\;{\AA}$, and $c=10.7124\;{\AA}$. Results of structural refinement indicate, however, that there are two slightly different iron sites in the sample. The $M{\ddot{o}}ssbauer$ spectrum at 4.2 K shows a hyperfine sextet with a hyperfine magnetic field and an isomer shift of 47.3 T and 0.36 mm/s, respectively. An examination of the spectrum revealed that the line widths of the spectral lines were not uniform. The degree of asymmetric line broadening decreases with increasing temperature, suggesting that the difference in the degree of crystalline distortions between two $FeO_6$ octahedra is eliminated as the temperature rises.

Solvothermal Synthesis and Characterization of Nano-sized Barium Titanate Powder

  • Choi, Kyoon;Kwon, Soon-Gyu;Kim, Byung-Ik
    • 한국분말야금학회:학술대회논문집
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    • 한국분말야금학회 2006년도 Extended Abstracts of 2006 POWDER METALLURGY World Congress Part 1
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    • pp.124-125
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    • 2006
  • Multilayer ceramic capacitor (MLCC) miniaturization has increased the demand for superfine $BaTiO_3$ powder due to its thin dielectric layer. Hydrothermally synthesized $BaTiO_3$ powder a pseudo-cubic phase resulting in poor dielectric properties due to size effect and hydroxyl ion inclusion in the $BaTiO_3$ lattice. We attempted a superfine (lower than 100 nm) highly tetragonal $BaTiO_3$ powder via a solvothermal method without precipitating agent. The lattice parameters and the relative amounts of tetragonal and cubic phases were determined using Rietveld refinement.

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리트벨트법을 이용한 당류계 초지연성 혼화제 혼입 시멘트 페이스트의 수화생성물 정량 분석 (Quantitative Analysis of Hydrate of Sugar-based Super Retardign Agent Mixed Cement Paste Using Rietveld Method)

  • 현승용;후윈야오;김수호;김종;한민철;한천구
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2021년도 가을 학술논문 발표대회
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    • pp.74-75
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    • 2021
  • This study attempted to study the setting time and compressive strength according to the sugar type through XRD. Setting time was found to be delayed the most when mixing white sugar, and setting time was promoted when mixing Saccharin and Aspartame. It was found that when white sugar and Grosvener siraitia were mixed, the compressive strength was higher than that of Control. Aspartame the age passed, C3S decreased and Ca(OH)2 increased.

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리튬2차전지용 양극 소재 $Li[Li_xMn_{1-x-y}Cr_y]O_2$의 합성 및 층상구조 연구 (Synthesis and Structure of the Layered Cathode Material $Li[Li_xMn_{1-x-y}Cr_y]O_2$ for Rechargeable Lithium Batteries)

  • 최진범;박종완;이승원
    • 한국광물학회지
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    • 제16권3호
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    • pp.223-232
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    • 2003
  • 리튬2차전지용 양극소재 개발을 위해 Li[L $i_{x}$M $n_{1-x-y}$C $r_{y}$ ] $O_2$를 공침법(co-p.ecipitation method)을 적용하여 각각 $650^{\circ}C$(CR650)와 8$50^{\circ}C$(CR850)에서 합성하였다. 리트벨트 구조분석 결과 계산의 정밀도를 나타내는 R 지수값을 보면 $R_{exp}$에 대한 $R_{wp}$값( $R_{wp}$/ $R_{exp}$)은 CR650과 CR850의 각각에 대해 19.2%/10.1%과 15.9%/9.76%를 보여주며, $R_{b}$값은 각각 10.9%와 8.54%, 그리고 S(GofF)값은 각각 1.9와 1.6으로 계산되었다. 합성된 양극소재는 공간군 R3m의 층상구조(LiMn $O_2$)가 존재하였으며, 전이금속 층 내의 Mn이 Li로 치환되면서(Li[L $i_{1}$3/M $n_{2}$3/] $O_2$) 단사구조(C2/c)의 거대격자(Superlattice) 구조현상도 관찰되었다. 계산된 단위포는 공간군 R3m, CR650이 a=2.8520(2)$\AA$, c=14.248(2)$\AA$, V=100.40(1)$\AA^3$이며, CR850은 a=2.8504(1)$\AA$, c=14.2371(7)$\AA$, V=100.179(8)$\AA^3$으로 각각 계산되었다. 또한 최종 결정된 화학식은 CR650은 Li[L $i_{0.35}$M $n_{0.56}$C $r_{0.09}$] $O_2$, CR850은 Li[L $i_{0.27}$M $n_{0.61}$C $r_{0.13}$] $O_2$으로 각각 구해졌다.다...다..구해졌다.다...다..

Application of a Dynamic-Nanoindentation Method to Analyze the Local Structure of an Fe-18 at.% Gd Cast Alloy

  • Choi, Yong;Baik, Youl;Moon, Byung M.;Sohn, Dong-Seong
    • Nuclear Engineering and Technology
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    • 제49권3호
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    • pp.576-580
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    • 2017
  • A dynamic nanoindentation method was applied to study an Fe-18 at.% Gd alloy as a neutron-absorbing material prepared by vacuum arc-melting and cast in a mold. The Fe-18 at.% Gd cast alloy had a microstructure with matrix phases and an Fe-rich primary dendrite of $Fe_9Gd$. Rietveld refinement of the X-ray spectra showed that the Fe-18 at.% Gd cast alloy consisted of 35.84 at.% $Fe_3Gd$, 6.58 at.% $Fe_5Gd$, 16.22 at.% $Fe_9Gd$, 1.87 at.% $Fe_2Gd$, and 39.49 at.% ${\beta}-Fe_{17}Gd_2$. The average nanohardness of the primary dendrite phase and the matrix phases were 8.7 GPa and 9.3 GPa, respectively. The fatigue limit of the matrix phase was approximately 37% higher than that of the primary dendrite phase. The dynamic nanoindentation method is useful for identifying local phases and for analyzing local mechanical properties.

분말 X-선 회절법에 의한 페라이트의 구조 연구 : 헤마타이트, 바륨페라이트, Zn2Y(Ba2Zn2Fe12O22) (An XRD Study on the Structures of Ferrites : Hematite, Ba-ferrite and Zn2Y(Ba2Zn2Fe12O22))

  • 신형섭;권순주
    • 한국세라믹학회지
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    • 제30권6호
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    • pp.499-509
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    • 1993
  • Structures of hematite(${\alpha}$-Fe2O3), Ba-ferrite(BaFe12O19) and Zn2Y(Ba2Zn2Fe12O22) were studied by powder X-ray diffraction(XRD) method. Powder XRD patterns of the ferrites were analyzed with the Rietveld method, and the final refined R-factors were RWP<0.01 and RI<0.03. The lattice parameters refined with hexagonal crystal system were a=5.0342${\AA}$, c=13.746${\AA}$ for hematite, a=5.8928${\AA}$, c=23.201${\AA}$ for Ba-ferrite, and a=5.8763${\AA}$, c=43.567${\AA}$ for Zn2Y. In the hematite, the oxygen parameter is 0.3072 and the Fe-O distances in FeO6octahedron are 1.941${\AA}$ and 2.118${\AA}$, close to the single crystal data of Blake et al.. In the Ba-ferrite, the Fe atom in oxygen trigonal bipyramid is displaced 0.155${\AA}$ away from the BaO3 mirror plane into 4e position. In the Zn2Y, 75% of Zn is located at the oxygen terahedral site in S-block.

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