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Conduction Mechanis...
Conduction Mechanisms in Crystalline LiPF6·PEO6 Doped with SiF62- and SF6
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- Brandell, Daniel (author)
- Uppsala universitet,Institutionen för materialkemi,Strukturkemi,strukturkemi
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- Liivat, Anti (author)
- Uppsala universitet,Institutionen för materialkemi,Strukturkemi,strukturkemi
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Aabloo, A (author)
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- Thomas, John Oswald (author)
- Uppsala universitet,Institutionen för materialkemi,Strukturkemi,strukturkemi
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(creator_code:org_t)
- 2005-06-16
- 2005
- English.
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In: Chem. Mater. - : American Chemical Society (ACS). ; 17:14, s. 3673-3680
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- Molecular dynamics (MD) simulations have been made under imposed electric fields for crystalline LiPF6·PEO6, (LiPF6)1-x(Li2SiF6)x·PEO6, and (LiPF6)1-x(SF6)x·PEO6 for x = 0.01 under standard pressure and temperature conditions with the aim of identifying the conduction mechanisms in the systems. Contrary to the results of earlier experimental investigations where only cation mobility was observed, ionic transport is here found to occur in regions between the polymer hemi-helices, with a high transference number (0.9-1.0) for the PF6- anions.
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Keyword
- Inorganic chemistry
- Oorganisk kemi
Publication and Content Type
- ref (subject category)
- art (subject category)
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