uu.seUppsala University Publications
Change search
Refine search result
12 1 - 50 of 75
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Rows per page
  • 5
  • 10
  • 20
  • 50
  • 100
  • 250
Sort
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
Select
The maximal number of hits you can export is 250. When you want to export more records please use the 'Create feeds' function.
  • 1. Aabloo, A
    et al.
    Klintenberg, M
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Molecular dynamics simulation of a polymer-inorganic interface.2000In: Electrochim.Acta, Vol. 45, p. 1425-Article in journal (Refereed)
  • 2. Aabloo, A.
    et al.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Molecular dynamics simulation of lithium ion mobility in a PEO surface.2001In: Solid State Ionics, Vol. 143, p. 83-Article in journal (Refereed)
  • 3.
    Aabloo, A
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Molecular dynamics simulation of Nd3+ ions in a crystalline PEO surface1998In: ELECTROCHIMICA ACTA, ISSN 0013-4686, Vol. 43, no 10-11, p. 1361-1364Article in journal (Other scientific)
    Abstract [en]

    Poly(ethylene oxide) based electrolytes are systems in which ionic salts are dissolved into an amorphous EO matrix. Potentials developed earlier to model crystalline and amorphous bulk PEO systems are here used for the MD simulation at 400 K of the behavi

  • 4.
    Aabloo, A
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Molecular dynamics simulations of a poly(ethylene oxide) surface1997In: POLYMER, ISSN 0032-3861, Vol. 38, no 18, p. A47-A51Article in journal (Refereed)
    Abstract [en]

    Potentials developed earlier for crystalline and amorphous bulk PEO systems have been used for the MD simulation of a PEO surface model. The surface comprises the outer region of a 122 Angstrom-thick sheet of PEO in which the PEO, -(CH2-CH2-O)(n)- chains

  • 5.
    Andersson, A.M
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Edström, Kristina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Characterisation of the ambient and elevated temperature performance of a graphite electrode1999In: JOURNAL OF POWER SOURCES, ISSN 0378-7753, Vol. 82, p. 8-12Article in journal (Refereed)
    Abstract [en]

    Thermal stability of the SEI layer on graphite in < Li(liquid electrolyte)graphite > half-cells has been investigated. DSC measurements reveal a two-stage exothermal reaction. The first, corresponding to a breakdown of the SEI layer, begins at 58 degrees

  • 6.
    Andersson, A.S.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry. strukturkemi. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Kalska, B
    Jönsson, P
    Häggström, L
    Nordblad, P
    Tellgren, Roland
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry. strukturkemi. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Thomas, John Oswald
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry. strukturkemi. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    The magnetic structure and properties of rhombohedral Li3Fe2(PO4)3.2000In: J. Mater. Chem., Vol. 10, p. 2542-Article in journal (Refereed)
  • 7.
    Andersson, A.S.
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The source of first-cycle capasity loss in LiFePO4.2001In: J. Power Sources, Vol. 97-98, p. 498-Article in journal (Refereed)
  • 8.
    Andersson, A.S.
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Kalska, B
    Häggström, L
    Lithium extraction/insertion in LiFePO4: an XRD and Mössbauer spectroscopy Study.2000In: Solid State Ionics, Vol. 130, p. 41-Article in journal (Refereed)
  • 9. Berg, H
    et al.
    Bergström, Örjan
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Kelder, EM
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Structural aspects of lithium insertion in transition metal oxide electrodes1998In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, ISSN 0021-8898, Vol. 31, p. 103-105Article in journal (Refereed)
    Abstract [en]

    There is a considerable lack of detailed information on the structure of lithiated phases of popular-consensus positive electrode materials for lithium/polymer and lithium-ion/polymer batteries. Having illustrated this phenomenon for the specific cases o

  • 10. Berg, H
    et al.
    Göransson, K
    Noläng, Bengt
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. strukturkemi.
    Electronic structure and stability of Li1+xMn2-xO4spinel2000In: J.Mater.Chem., Vol. 6, p. 1437-Article in journal (Refereed)
  • 11. Bergstrom, Örjan
    et al.
    Björk, Helena
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Direct XRD observation of oxidation-state changes on Li-ion insertion into transition-metal oxide hosts1999In: JOURNAL OF POWER SOURCES, ISSN 0378-7753, Vol. 82, p. 685-689Article in journal (Other scientific)
    Abstract [en]

    It is demonstrated here that the electron redistribution occurring as lithium becomes incorporated into or extracted from a crystalline transition-metal oxide (TMO) host can be studied experimentally by single-crystal X-ray diffraction (XRD) for the case

  • 12. Bergstrom, Örjan
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    An X-ray powder diffraction attachment for in situ studies of ion insertion processes in electrode materials1998In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, ISSN 0021-8898, Vol. 31, p. 103-105Article in journal (Other scientific)
    Abstract [en]

    An attachment is described for in situ X-ray diffraction studies in transmission mode of ion insertion processes in potential electrode materials. The method exploits the flat-cell geometry of the lithium polymer battery concept, in which the cell compone

  • 13. Bergstrom, Örjan
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Electrochemically lithiated vanadium oxide, Li3V6O131998In: ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, ISSN 0108-2701, Vol. 54, p. 1204-1206Article in journal (Other scientific)
    Abstract [en]

    Single crystals of V6O13 Were grown by chemical vapour transport (CVT) and subsequently electrochemically lithiated. The title compound, trilithium hexavanadium tridecaoxide, was the phase formed during electrochemical lithiation at 2.45 V versus Li/Li+.

  • 14. Bergstrom, Örjan
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Lithium insertion into V6O13 studied by deformation electron density refinement of single-crystal x-ray data1998In: SOLID STATE IONICS, ISSN 0167-2738, Vol. 110, no 3-4, p. 179-186Article in journal (Other scientific)
    Abstract [en]

    Deformation electron density refinement of single-crystal X-ray data has been performed for V6O13 and for one of its electrochemically lithiated phases Li2V6O13. The electron rearrangement associated with lithium insertion is extracted by subtracting the

  • 15. Bergström, Örjan
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Electrochemically lithiated vanadium oxide Li2V6O131997In: Acta Crystallographica C, Vol. 53, p. 528-Article in journal (Refereed)
    Abstract [en]

    Single crystals of V6O13 were grown by chemical vapour transport and then electrochemically lithiated, The title compound, dilithium hexavanadium tridecaoxide, was the first phase formed during electrochemical lithiation at 2.65 V Versus Li/Li+. The Li2V

  • 16. Björk, H
    et al.
    Dabkowska, H
    Greedan, J. E.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The structure of [Li0.91Mn0.09]Mn2O42001In: Acta Cryst, Vol. C57, p. 331-Article in journal (Refereed)
  • 17. Björk, H
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Direct observation of XRD redox processes in TMO’s1999In: Mat. Res. Soc. Symo. Proc., Vol. 548, p. 203-Article in journal (Refereed)
  • 18. Björk, H
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Single-crystal studies of electrochemically delithiated LiMn2O42001In: Electrochem.Comm., Vol. 3, p. 187-Article in journal (Refereed)
  • 19. Björk, H
    et al.
    Lidin, S
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Superlattice formation on lithiated vanadium oxide phases Li0.67V6O13 and Li1V6O13.2001In: Acta Cryst., Vol. B57, p. 759-Article in journal (Refereed)
  • 20.
    Björk, Helen
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Lidin, Sven
    Petricek, Václav
    Long-range ordering during delithiation of LiMn2O4 cathode material2003In: Journal of Materials Chemistry, Vol. 13, p. 585-589Article in journal (Refereed)
  • 21. Brandell, Daniel
    et al.
    Karo, Jaanus
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
    Liivat, Anti
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
    Thomas, John
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
    Molecular dynamics studies of the Nafion®, Dow® and Aciplex® fuel-cell polymer membrane systems2007In: Journal of Molecular Modeling, ISSN 1610-2940, E-ISSN 0948-5023, Vol. 13, no 10, p. 1039-1046Article in journal (Refereed)
    Abstract [en]

    The Nafion, Dow and Aciplex systems – where the prime differences lies in the side-chain length – have been studied by molecular dynamics (MD) simulation under standard pressure and temperature conditions for two different levels of hydration: 5 and 15 water molecules per (H)SO3 end-group. Structural features such as water clustering, water-channel dimensions and topology, and the dynamics of the hydronium ions and water molecules have all been analysed in relation to the dynamical properties of the polymer backbone and side-chains. It is generally found that mobility is promoted by a high water content, with the side-chains participating actively in the H3O+/H2O transport mechanism. Nafion, whose side-chain length is intermediate of the three polymers studied, is found to have the most mobile polymer side-chains at the higher level of hydration, suggesting that there could be an optimal side-chain length in these systems. There are also some indications that the water-channel network connectivity is optimal for high water-content Nafion system, and that this could explain why Nafion appears to exhibit the most favourable overall hydronium/water mobility.

  • 22.
    Brandell, Daniel
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Klintenberg, M
    Aabloo, A
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Calculation of the optical absorption spectrum of ErCl3 in poly(ethelylene oxide)(PEO).2000In: Int. J. Quant. Chem., Vol. 80, p. 799-Article in journal (Refereed)
  • 23.
    Brandell, Daniel
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Klintenberg, M
    Aabloo, A
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Optical absorption spectra from rare-earth ions in polymers: the effect of the polymer host2002In: Macromolecular Symposia, Vol. 186, p. 51-Article in journal (Refereed)
  • 24.
    Brandell, Daniel
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Klintenberg, M
    Aabloo, A
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The effect of the polymer host on optical absorption spectra for Er(CF3SO3)3 in poly(ethylene oxide)2002In: Journal of Materials Chemistry, Vol. 12, p. 565-Article in journal (Refereed)
  • 25.
    Brandell, Daniel
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Liivat, Anti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Aabloo, A
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Conduction Mechanisms in Crystalline LiPF6·PEO6 Doped with SiF62- and SF62005In: Chem. Mater, Vol. 17, no 14, p. 3673-3680Article in journal (Refereed)
    Abstract [en]

    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.

  • 26.
    Edström, Karin
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Farrington, Gregory
    Li+/Na+β-alumina: A Combined Single Crystal Neutron and X-ray Diffraction Study1997In: Acta Crystallographica, Vol. B53, p. 631-Article in journal (Refereed)
    Abstract [en]

    The crystal structure and ionic distribution in the conduction plane of the partially exchanged Na+ beta-alumina system Li0.75Na0.47Al11O17.11 has been determined from single-crystal X-ray diffraction at 30 and 298 K, in combination with a single-crystal

  • 27.
    Edström, Kristina
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Diffraction as a tool in the study of lithium insertion mechanisms1999In: Lithium Batteries: Electrochemical Society Proceedings, Vol. 98-16, p. 117-Article in journal (Refereed)
  • 28.
    Edström, Kristina
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The cathode-elctrolyte interface in a Li-Ion battery2004In: Lithium-Ion Batteries: Solid-Electrolyte Interphase, Imperial College Press, London , 2004, p. 337-364Chapter in book (Other (popular scientific, debate etc.))
  • 29.
    Edström, Kristina
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The cathode-electrolyte interface in the Li-ion battery2004In: Electrochimica Acta, no 50, p. 397-403Article in journal (Refereed)
    Abstract [en]

    The same experimental techniques as used earlier to characterize the composition and properties of the so-called solid electrlyte interphase (SEI) layer formed at the graphite-anode-electrolyte interface of a Li-ion battery are used here to acquire some degree of understanding of face phenomena occurring on the cathode side of the cell, even though the validity of the SEI-layer concept is still somewhat tenuous "cathode" context. We here probe cathode-related SEI phenomena for the three cases: LiMujO^ LiCoOz/LiNio gCoo 202, and carboncoated LLFePCU. The various layer types formed have been analyzed systematically for different salts, solvents, cycling modes, storage temperatures, etc., using photoelectron spectroscopy (PES). Depth-profiling of the layers formed was achieved using Al Ka radiation th Ar-ion sputtering; non-destructive depth-profiling was made possible using synchrotron radiation, and applied to the important case of carbon-coated LiFePO4. A number of trends have emerged from our studies, and some general models are proposed to reflect features characteristic of the various systems studied. Our results are related to the more familiar SEI-layer formed on graphite.

  • 30.
    Edström, Kristina
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    ITO, S
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    CRYSTAL-STRUCTURE AND CHARGE COMPENSATION MECHANISMS IN A BARIUM POTASSIUM BETA-FERRITE1995In: JOURNAL OF MATERIALS CHEMISTRY, ISSN 0959-9428, Vol. 5, no 7, p. 995-998Article in journal (Refereed)
    Abstract [en]

    The structure of a mixed-ion Ba2+-K+ beta-ferrite, Ba0.39K0.39Fe11O17.03, has been determined by X-ray diffraction, and refined in the hexagonal space-group P6(3)/mmc, R(F)=3.4%, R(W)(F-2)=5.9%. At least two possible charge compensation mechanisms could

  • 31.
    Edström, Kristina
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    ALIOVALENT IONIC SUBSTITUTION AS A PROBE OF CONDUCTION MECHANISM1995In: SOLID STATE IONICS, ISSN 0167-2738, Vol. 80, no 3-4, p. 245-250Article in journal (Refereed)
    Abstract [en]

    Silver and sodium have qualitatively different diffraction-determined ionic distributions in the conduction planes of a beta-alumina host. That this can imply different conduction mechanisms in the two cases is probed by partially exchanging Cd2+ ions in

  • 32. Eriksson, T
    et al.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    An XPS study of the SEI-Layer formed on a LixMn2O4 cathode1999In: Proc. Electrochem. Soc., Vol. 98, p. 315-Article in journal (Refereed)
  • 33.
    Eriksson, Tom
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Andersson, AM
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Bergstrom, O
    Edström, Kristina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    A furnace for in situ X-ray diffraction studies of insertion processes in electrode materials at elevated temperatures2001In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, ISSN 0021-8898, Vol. 34, p. 654-657Article in journal (Refereed)
    Abstract [en]

    A furnace is described for in situ X-ray diffraction studies, in transmission mode, of structural changes in electrode materials for Li-ion (polymer) batteries in the ambient to 300 degreesC temperature range. The method exploits the thin flat-cell geomet

  • 34.
    Eriksson, Tom
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Andersson, A.M
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gejke, C
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Influence of temperature on the interface chemistry of LixMn2O4 electrodes.2002In: Langmuir, Vol. 18, no 9, p. 3609-3619Article in journal (Refereed)
  • 35.
    Eriksson, Tom
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Surface structure of LiMn2O4 electrodes2002In: Electrochem. Solid-State Lett., Vol. 5, p. A35-Article in journal (Refereed)
  • 36. Eyob, P
    et al.
    Andersson, A.S
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    A neutron powder diffraction study of electrochemically lithiated R-Li3+xFe2(PO4)3 for x=1.82002In: J.Mater.Chem, Vol. 12, p. 2343-Article in journal (Refereed)
  • 37.
    Fransson, L
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksson, Tom
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Edström, Kristina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Influence of Carbon Black and Binder on Li-ion Batteries2001In: J. Power Sources, Vol. 101, p. 1-8Article in journal (Refereed)
  • 38.
    Fransson, L
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Vaughey, JT
    Benedek, R
    Edström, Kristina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thackeray, MM
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Phase transitions in lithiated Cu2Sb anodes for lithium batteries: an in situ X-ray diffraction study2001In: ELECTROCHEMISTRY COMMUNICATIONS, ISSN 1388-2481, Vol. 3, no 7, p. 317-323Article in journal (Refereed)
    Abstract [en]

    Copper antimonide, Cu(2)sb, has been investigated as a negative electrode (anode) for rechargeable lithium batteries by in situ X-ray diffraction of Li/Cu2Sb cells. The data show that lithium is inserted into Cu2Sb with a concomitant extrusion of copper,

  • 39.
    Gustafsson, Torbjörn
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Nytén, Anton
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Li2FeSiO4 - the new Li-ion battery cathode material: a simple compound, a complex structure, and unpredictable electrochemistry2007In: 4th European Conference on Neutron Scattering 25-29 June 2007 Lund, Sweden, 2007Conference paper (Refereed)
  • 40.
    Gustafsson, Torbjörn
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Nytén, Anton
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The Li2FeSiO4 structure under battery cycling2007In: European Crystallographic Meeting 24, Marrakech 2007, 2007Conference paper (Refereed)
  • 41.
    Gustafsson, Torbjörn
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Stjerndahl, Mårten
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Time resolved in situ X-Ray diffraction on LiFePO42007In: International Conference on Materials for Advanced Technologies 2007, Singapore, 2007Conference paper (Refereed)
  • 42.
    Hektor, A
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Klintenberg, M
    Aabloo, A
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Molecular dynamics simulation of the effect of a side-chain on the dynamics of the amorphous LiPF6-PEO system2003In: J. Mater. Chem., no 13, p. 214-218Article in journal (Refereed)
  • 43.
    Höwing, Jonas
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Li3+δVC6O13: a short-range-ordered lithium insertion mechanism2004In: Acta Crystallographica, ISSN 0108-7681, Vol. B60, p. 382-387Article in journal (Refereed)
    Abstract [en]

    The structures of Li3 V6O13 and Li3+V6O13, 0.3, have been determined by single-crystal X-ray diffraction. Both compounds have the space group C2/m, with very similar cell parameters. In Li3V6O13, the Li atoms are found in the Wyckoff positions 4(i) and 2(b) with multiplicities of four and two, respectively. Since Li3V6O13 exhibits no superstructure reflections, it is concluded that Li3V6O13 contains one disordered lithium ion in an otherwise ordered centrosymmetric structure. On inserting more lithium into the structure, the Li3+V6O13 phase is formed with the homogeneity range 0 < < 1. It is concluded that the site for the extra inserted lithium ion is closely coupled to the position of the disordered lithium ion in Li3V6O13. A mechanism for this behaviour and for the further formation of the Li6V6O13 end-phase in the LixV6O13 system is proposed.

  • 44.
    Höwing, Jonas
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Lithium vanadate Li3+xV6O13 at low temperature2004In: Acta Cryst., no C60, p. i66-i68Article in journal (Refereed)
    Abstract [en]

    We have performed an ab initio study of the surface energies, surface electronic structures and work functions for the (1 0 0) surface of the, existent and hypothetical, cubic 3d (Sc–Cu), 4d (Zr–Ag) and 5d (La–Au) transition metal carbides. The calculated surface energies have been compared to predictions using a so-called bond-cutting model and a model based on the so-called bonding energies. The absolute values and rough trends of the surface energies are fairly well predicted within the simple bond-cutting model, as compared to fully self-consistent calculations, while both trends and absolute values are well reproduced within the bonding energy model. The electronic structure (densities of states) of the transition metal carbides at the surface and in the bulk have been calculated. The trends are discussed in relation to the behavior of the surface energy and the work function across the series.

  • 45.
    Höwing, Jonas
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Gustafsson, Torbjörn
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Low-temperature structure of V6O132003In: Acta Cryst., no B 59, p. 747-752Article in journal (Refereed)
  • 46. Jain, H
    et al.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Whittingham, M.S.
    Solid Electrolytes: Advances in Science and Technology.2000In: MRS Bulletin, Vol. 25, p. 11-Article in journal (Refereed)
  • 47. Johnson, CS
    et al.
    Vaughey, JT
    Thackeray, MM
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Fransson, Linda
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Edström, Kristina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    The Electrochemistry of Intermetallic Materials in Lithium Batteries2001In: J. Power Sources, Vol. 97-98, p. 194-Article in journal (Refereed)
  • 48.
    Johnson, C.S
    et al.
    Argonne National Laboratory US.
    Vaughey, J.T
    Argonne National Laboratory US.
    Thackeray, M.M
    Argonne National Laboratory.
    Sarakonsri, T
    Hackney, S.A
    Fransson, L
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
    Edström, Kristina
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
    Thomas, John Oswald
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Electrochemistry and in situ X-ray diffraction of InSb in lithium batteries2000In: Electrochemistry Communications, Vol. 2, p. 595-Article in journal (Refereed)
  • 49.
    Karo, Jaanus
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Aabloo, A
    Thomas, John Oswald
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    A molecular dynamics study of the effect of side-chains on mobility in a polymer host2005In: Solid State Ionics, Vol. 176, no 39-40, p. 3041-3044Article in journal (Refereed)
    Abstract [en]

    The effect on polymer dynamics of adding methoxy-terminated poly(ethylene oxide) (PEO) side-chains with different lengths and separations to an amorphous long-chain PEO backbone has been studied by Molecular Dynamics (MD) simulation at 293 K and 330 K. The study is seen as having a direct general relevance to the optimal design of ion-conducting polymer hosts for both Li-ion battery and polymer fuel-cell applications. The MD box used contains a long-chain PEO backbone to which side-chains comprising 3, 6, 7, 8, 9 and 15 EO units are added. The chosen separations between the side-chains are 5, 10, 15, 20 and 50 EO units. All potentials used to describe these systems are taken from earlier work (J. Mater. Chem., 13 (2003) 214). The overall mobility of the polymer host system is found to have both minima and maxima at both temperatures for side-chain lengths in the range 6–9 EO units. This is almost totally independent of side-chain separation at 293 K, while the situation is more complex at 330 K.

  • 50.
    Karo, Jaanus
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Aabloo, Alvo
    Thomas, John O.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Brandell, Daniel
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Molecular Dynamics Modeling of Proton Transport in Nation and Hylton Nanostructures2010In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 114, no 18, p. 6056-6064Article in journal (Refereed)
    Abstract [en]

    Classical molecular dynamics modeling studies at 363 K are reported of the local atomic-level and macroscopic nanostructures of two well-known perfluorosulfonic acid proton exchange polymer membrane materials: Nation and Hyflon. The influence of the different side-chain lengths in the two polymers on local structure is relatively small: Hyflon exhibits slightly greater sulfonate-group clustering, while Nation has more isolated side chains with a higher degree of hydration around the SO3- side-chain ends. This results in shorter mean residence times for water molecules around the end groups in Nation. Hyflon also displays a lower degree of phase separation than Nafion. The velocities of the water molecules and hydronium ions are seen to increase steadily from the polymer backbone/water interface toward the center of the water channels. Because of its shorter side chains, the number of hydronium ions is similar to 50% higher at the center of the water channels in Hyflon, and their velocities are similar to 10% higher. The water and H3O+ diffusion coefficients are therefore higher in the shorter side-chain Hyflon system: 6.5 x 10(-6) cm(2)/s and 25.2 x 10(-6) cm(2)/s, respectively; the corresponding values for Nation are 6.1 x 10(-6) cm(2)/s and 21.3 x 10(-6) cm(2)/s, respectively. These calculated values compare well with experiment: 4 x 10(-6) cm(2)/s for vehicular H3O+ diffusion.

12 1 - 50 of 75
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf