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Neutron Pair Distri...
Neutron Pair Distribution Function Study of FePO4 and LiFePO4
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- Slawinski, Wojciech Andrzej, 1980 (författare)
- STFC Rutherford Appleton Laboratory,STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England;Chalmers Univ Technol, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden;Univ Warsaw, Fac Chem, Pasteura 1, PL-02093 Warsaw, Poland
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- Playford, Helen Y. (författare)
- STFC Rutherford Appleton Laboratory,STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England
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- Hull, Stephen (författare)
- STFC Rutherford Appleton Laboratory,STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England
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- Norberg, Stefan, 1972 (författare)
- AstraZeneca R&D Mölndal,Chalmers tekniska högskola,Chalmers University of Technology,Chalmers Univ Technol, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden;AstraZeneca, Pharmaceut Technol & Dev, Pepparedsleden 1, S-43183 Molndal, Sweden
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- Eriksson, Sten, 1958 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology,Chalmers Univ Technol, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden
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- Gustafsson, Torbjörn, 1949- (författare)
- Uppsala universitet,Strukturkemi
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- Edström, Kristina, Professor, 1958- (författare)
- Uppsala universitet,Strukturkemi
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- Brant, William R. (författare)
- Uppsala universitet,Strukturkemi
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(creator_code:org_t)
- 2019-05-24
- 2019
- Engelska.
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Ingår i: Chemistry of Materials. - : American Chemical Society (ACS). - 1520-5002 .- 0897-4756. ; 31:14, s. 5024-5034
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Neutron powder diffraction studies of the compounds FePO4 and LiFePO4 are reported. Rietveld refinement of the diffraction data provides averaged structures for both materials that are in good agreement with the published structures. In addition, detailed investigations of the short-range ion-ion correlations within each compound have been performed using the reverse Monte Carlo (RMC) modeling of the total scattering (Bragg plus diffuse) data. Although the short-range structural information for LiFePO4 is consistent with the long-range (averaged) picture, a small, but statistically significant, proportion of the anions is displaced away from their ideal sites within the RMC configurations of FePO4. These anion displacements are discussed in terms of a small concentration of Li+/Fe2+ occupying the empty octahedral sites, probably arising from incomplete delithiation of the LiFePO4 and/or antisite (Li+-Fe2+) defects introduced during the delithiation process.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
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Slawinski, Wojci ...
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Playford, Helen ...
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Hull, Stephen
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Norberg, Stefan, ...
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Eriksson, Sten, ...
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Gustafsson, Torb ...
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Edström, Kristin ...
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Brant, William R ...
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- Om ämnet
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Oorganisk kemi
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Materialkemi
- Artiklar i publikationen
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Chemistry of Mat ...
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Chalmers tekniska högskola
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Uppsala universitet