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  • 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. Abbrent, S
    et al.
    Plestil, J
    Hlavata, D
    Lindgren, Jan
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Tegenfeldt, Jörgen
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Wendsjö, Å
    Crystallinity and morphology of PVdF-HFP based gel electrolytes.2001In: Polymer, Vol. 42, p. 1407-Article in journal (Refereed)
  • 6.
    Ainla, Alar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
    Brandell, Daniel
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Nafion (R)-polybenzimidazole (PBI) composite membranes for DMFC applications2007In: Solid State Ionics, ISSN 0167-2738, E-ISSN 1872-7689, Vol. 178, no 7-10, p. 581-585Article in journal (Refereed)
    Abstract [en]

    Nafion®–PBI composites were prepared by diffusing synthesized PBI from solution phase into Nafion® membranes, using different concentrations and drying temperatures. In some cases, Nafion® was treated with diethyl amine to screen the –SO3H groups and thereby avoid the strong acid–base interactions between the polymers during diffusion. The presence of PBI in the membranes was characterized with FT–IR spectroscopy. The performance of the membranes was studied by in-plane conductivity and methanol permeability. The performance ratio (the ratio between conductivity and methanol permeability compared to Nafion®) increased by up to 50% for the composite membranes compared to Nafion®.

  • 7. Alfredsson, M
    et al.
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Hartree-Fock and DFT calculations of quadrupole coupling constants in water clusters and ice1999In: CHEMICAL PHYSICS, ISSN 0301-0104, Vol. 242, no 2, p. 161-175Article in journal (Other scientific)
    Abstract [en]

    Periodic ab initio calculations of the O-17 and H-2 quadrupole coupling constants (QCC) and their shifts have been performed for ice VIII and ice IX. Cluster calculations were done for smaller water clusters and chains. The ice Vm crystal structure was op

  • 8.
    Alfredsson, 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.
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    OH frequency calculations for the hydroxylated MgO(001) surface2002In: Molecular Simulation, Vol. 28, p. 663-Article in journal (Refereed)
  • 9.
    Alfredsson, 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.
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Dovesi, R
    Periodic ab initio calculations of the spontaneous polarisation in ferroelectric NaNO2(s).2002In: Phys. Chem. Chem.Phys., p. 4204-Article in journal (Refereed)
  • 10. Alfredsson, Maria
    et al.
    Ojamae, Lars
    Hermansson, Kersti
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    A comparison of Hartree-Fock, MP2, and DFT results for the HCN dimer and crystal1996In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 60, no 3, p. 767-777Article in journal (Refereed)
    Abstract [en]

    A number of hydrogen-bond related quantities-geometries, interaction energies, dipole moments, dipole moment derivatives, and harmonic vibrational frequencies-were calculated at the Hartree-Fock, MP2, and different DFT levels for the HCN dimer and the pe

  • 11.
    Andersson, AM
    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.
    Chemical Composition and Morphology of the Elevated Temperature SEI-layer on Graphite2001In: J. Electrochem. Soc., Vol. 148, p. A1100-Article in journal (Refereed)
  • 12.
    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

  • 13.
    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.
    Herstedt, Marie
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Bishop, A.
    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.
    The influence of lithium salt on the interfacial reactions controlling the thermal stability of graphite anodes2002In: Electrochim. Acta, Vol. 47, p. 1885-Article in journal (Refereed)
  • 14.
    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)
  • 15.
    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)
  • 16.
    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)
  • 17.
    Andersson, Staffan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Physics Didactics.
    Andersson Chronholm, Jannika
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Physics Didactics.
    Jakobsson, Tobias
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Biology Education Centre.
    Larsson, Johan
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Physics Didactics.
    Sjöström, Håkan
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Solid Earth Geology.
    Koyi, Hemin
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Solid Earth Geology.
    Eriksson, Anders
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Elmgren, Maja
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical and Analytical Chemistry.
    Rangordningsövningar i naturvetenskap2011Book (Other academic)
  • 18. Andjelkovic, K
    et al.
    Höwing, Jonas
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Tellgren, Roland
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Jeremic, D
    Ivanovic-Burmazovic, I
    Sladic, D
    Synthesis and Structural Characterization of the Co(III) Complex with 2'-[1-(2-Pyridinyl)-Ethylidene]-Oxamohydrazide (Hapsox): The Crystal Structure of Bis-{2'-[1-(2-Pyridinyl)-Ethylidene]-Oxamohydrazido}Cobalt(III) Perchlorate, [Co(apsox)2]ClO42003In: J. Coord. Chem., Vol. 56, no 7, p. 611-622Article in journal (Refereed)
  • 19. Andjelkovic, K
    et al.
    Jakovljevic, G
    Zlatovic, M
    Tesic, Z
    Sladic, D
    Höwing, Jonas
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Tellgren, Roland
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Synthesis and Characterization of Zinc(II), Palladium (II) and Platinum (II) Complex2004In: Journal of the Serbian Chemical Society, Vol. 69, no 8-9, p. 651-660Article in journal (Refereed)
  • 20. Andjelkovic, Katarina
    et al.
    Höwing, Jonas
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Tellgren, Roland
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Jeremić, Dejan
    Ivanović-Burmazović, Ivana
    Sladić, Dušan
    Synthesis and Structural Characterization of the Co(III) Complex with 2'-[1-(2-Pyridinyl)-Ethylidene]-Oxamohydrazide (Hapsox): the Crystal Structure of Bis-{2'-[1-(2-Pyridinyl)-Ethylidene]-Oxamohydrazido} Cobalt(III) Perchlorate, [Co(apsox)2]ClO42003In: Journal of Coordination Chemistry, Vol. 56, no 7, p. 611-622Article in journal (Refereed)
    Abstract [en]

    The synthesis of a novel ligand 2′-[1-(2-pyridinyl)-ethylidene]-oxamohydrazide (Hapsox), from a series of 2-acetylpyridine acylhydrazones, and its complex with Co(III), which is the first in this series of complexes are described. Both the ligand and the complex were characterized by elemental analysis, IR, 1H-NMR, and 13C-NMR spectra, and the structure of the complex [Co(apsox)2]ClO4 was determined by X-ray structural analysis. It was established that [Co(apsox)2]ClO4 has an octahedral geometry with two tridentate apsox ligands in monoanionic form. Structural characteristics, lengths of the bonds, and angles between the bonds were typical for Co(III) complexes of distorted octahedral geometry. Both direct and template synthesis afforded the same geometrical isomer of the complex with two apsox ligands meridionally bound to the central metal ion, even in the case when equimolar quantities of Co(ClO4)2 and Hapsox were applied.

  • 21. Antic, B
    et al.
    Rodic, D
    Tellgren, Roland
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Rundlöf, Håkan
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Neutron diffraction study of the magnetic and structure properties of Co2.50Sb0.50O4 spinel.2000In: Magn. and Magn. Mat., Vol. 219, p. 41-Article in journal (Refereed)
  • 22. Armstrong, A Robert
    et al.
    Bruce, Peter G.
    Gustafsson, Torbjörn
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Thomas, Josh
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    The Li-ion extraction/re-insertion mechanism in Li2FeSiO42009In: Lithium Battery Discussion Electrode Materials, Bordeaux-Arcachon, France, 20-25 September 2009, 2009, p. O32-Conference paper (Refereed)
  • 23.
    Augustsson, A
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II.
    Schmitt, T
    Duda, L
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II.
    Nordgren, J
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II.
    Nordlinder, Sara
    Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II. strukturkemi.
    Edström, Kristina
    Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II. strukturkemi.
    Gustafsson, Torbjörn
    Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II. strukturkemi.
    Guo, J H
    The electronic structure and lithiation of electrodes based on vanadium-oxide nanotubes2003In: Journal of Applied Physics, Vol. 94, no 8, p. 5083-5087Article in journal (Refereed)
    Abstract [en]

    The synthesis of a novel ligand 2′-[1-(2-pyridinyl)-ethylidene]-oxamohydrazide (Hapsox), from a series of 2-acetylpyridine acylhydrazones, and its complex with Co(III), which is the first in this series of complexes are described. Both the ligand and the complex were characterized by elemental analysis, IR, 1H-NMR, and 13C-NMR spectra, and the structure of the complex [Co(apsox)2]ClO4 was determined by X-ray structural analysis. It was established that [Co(apsox)2]ClO4 has an octahedral geometry with two tridentate apsox ligands in monoanionic form. Structural characteristics, lengths of the bonds, and angles between the bonds were typical for Co(III) complexes of distorted octahedral geometry. Both direct and template synthesis afforded the same geometrical isomer of the complex with two apsox ligands meridionally bound to the central metal ion, even in the case when equimolar quantities of Co(ClO4)2 and Hapsox were applied.

  • 24.
    Augustsson, Andreas
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II.
    Herstedt, Marie
    Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II. strukturkemi.
    Guo, J H
    Edström, Kristina
    Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II. strukturkemi.
    Zhuang, G.V
    Ross, P.N
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II.
    Nordgren, Joseph
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Chemistry, Department of Materials Chemistry, Structural Chemistry. Department of Physics and Materials Science, Physics II.
    Solid electrolyte interphase on graphite Li-ion battery anodes studied by soft X-ray spectroscopy2004In: Phys. Chem. Chem. Phys, Vol. 6, p. 4185-4189Article in journal (Refereed)
    Abstract [en]

    We have measured X-ray absorption and emission near the C Is edge of graphite electrodes cycled in lithium-ion battery cells. Resonantly excited emission spectra of graphite electrodes exhibit features characteristic of both highly oriented pyrolytic graphite as well as polycrystalline graphite. Spectra of three electrodes cycled in two different electrolytes are presented and compared with spectra of the pristine electrode. A solid electrolyte interphase(SEI) was detected on the electrochemically cycled electrodes. By the use of selective excitation, resonant X-ray emission spectra of the SEI-species were obtained and compared to spectra of reference compounds. The SEI on the cycled graphite anode was shown to comprise lithium oxalate (Li2C2O4), lithium succinate (LiO2CCH2CH2CO2Li) and lithium methoxide (LiOCH3).

  • 25.
    Azad, AK
    et al.
    Uppsala University, Interfaculty Units, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, The Studsvik Neutron Research Laboratory. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksson, S-G
    Mellergård, A
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Ivanov, SA
    Eriksen, J
    Rundlöf, Håkan
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    A study on the nuclear and magnetic structure of the double perovskite A1FeWO6 (A=Sr, Ba) by neutron diffraction and reverse Monte Carlo modelling2001In: J. Phys.; Condensed Matter, Vol. submittedArticle in journal (Refereed)
  • 26.
    Azad, AK
    et al.
    Uppsala University, Interfaculty Units, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, The Studsvik Neutron Research Laboratory. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksson, S-G
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Yunus, SM
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksen, J
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Rundlöf, Håkan
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Synthesis, cation distribution and crystal structure of the spinel type solid solution GaxCoFe1-xCrO4 (0<x<1)2003In: Physica B, Vol. B 327, p. 1-8Article in journal (Refereed)
  • 27.
    Azad, AK
    et al.
    Uppsala University, Interfaculty Units, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, The Studsvik Neutron Research Laboratory. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Ivanov, SA
    Eriksson, SG
    Technology, Department of Materials Science. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksen, J
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Rundlöf, Håkan
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Mathieu, R
    Svedlindh, P
    Nuclear and magnetic structure of Ca2MnWO6: A neutron powder diffraction study2001In: MATERIALS RESEARCH BULLETIN, ISSN 0025-5408, Vol. 36, no 13-14, p. 2485-2496Article in journal (Refereed)
    Abstract [en]

    The nuclear and magnetic structures of the double provskite compound Ca2MnWO6 have been determined by neutron powder diffraction. Rietveld refinement shows that the compound adopts a monoclinic crystal structure with P2(1)/n symmetry. Magnetic refinement

  • 28.
    Azad, AK
    et al.
    Uppsala University, Interfaculty Units, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, The Studsvik Neutron Research Laboratory. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Ivanov, SA
    Eriksson, S-G
    Eriksen, J
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Rundlöf, Håkan
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Mathieu, R
    Svedlindh, P
    Structural and magnetic properties of the double perovskite Sr2MnWO62001In: J. Magnetism and Magnetic Materials, Vol. 237, p. 124-Article in journal (Refereed)
  • 29.
    Azad, AK
    et al.
    Uppsala University, Interfaculty Units, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, The Studsvik Neutron Research Laboratory. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Ivanov, SA
    Eriksson, SG
    Technology, Department of Materials Science. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksen, J
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Rundlöf, Håkan
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Mathieu, R
    Svedlindh, P
    Synthesis, crystal structure, and magnetic characterization of the double perovskite Ba2MnWO62001In: MATERIALS RESEARCH BULLETIN, ISSN 0025-5408, Vol. 36, no 12, p. 2215-2228Article in journal (Refereed)
    Abstract [en]

    The double perovskite Ba2MnWO6 has been prepared as a pure powder by a conventional solid-state reaction process and studied by X-ray, neutron powder diffraction (NPD), magnetization, and AC susceptibility measurements. NPD, magnetization, and AC suscepti

  • 30.
    Azad, AK
    et al.
    Uppsala University, Interfaculty Units, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, The Studsvik Neutron Research Laboratory. Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Mellergård, A
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksson, S-G
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Ivanov, SA
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Eriksen, J
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Rundlöf, Håkan
    Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Preparation, Crystal and Magnetic Structure of the Double Perovskite Ba2FeWO62002In: Applied Physics A, Vol. A 74, p. S763-765Article in journal (Refereed)
    Abstract [en]

    Single-phase polycrystalline material of the double perovskite Ba2FeWO6 was prepared and characterized by X-ray and neutron powder diffraction (NPD). The crystal structure was tetragonal with lattice parameters a=b=5.7479(4) Å and c=8.1444(9) Å at room temperature (295 K). NPD data at 10 K shows the evidence of an antiferromagnetic ordering of the Fe atoms. The reverse Monte Carlo powder (RMCPOW) technique was used to find the magnetic structure, which showed that it is based on a unit cell related to that of the nuclear structure by the propagation vector 0 \frac[¯]1[¯][¯]2[¯] \frac[¯]1[¯][¯]2[¯] . An ordering of collinear spins was found with alternate layers in the c-direction or in the a-b plane. The model was checked by Rietveld refinement and the magnetic moment of iron was found to be 3.39(2)7B at 10 K.

  • 31.
    Baglien, Ida
    et al.
    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.
    Nyholm, Leif
    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.
    Edström, Kristina
    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.
    The Influence on the SEI of Different Cell Designs2006In: Presented at the International Meeting on Lithium Batteries (IMLB2006) meeting in Biarritz, France, June 18-23, 2006Conference paper (Refereed)
  • 32.
    Baglien, Ida
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Nyholm, Leif
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. oorganisk kemi.
    Hedlund, M
    Rensmo, H
    Siegbahn, H
    Edström, Kristina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Characterisation of the SEI formed on Graphite using Synchrotron PES2005In: presented at the 208th Electrochemical Society Meeting, Los Angeles, 16-21 October, 2005Conference paper (Refereed)
  • 33. Bakker, A
    et al.
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Lindgren, Jan
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Probst, M
    Bopp, Ph
    A molecular dynamics simulation of an aqueous aluminium (III) chloride solution with three-body interactions.2000In: Int. J. Quantum Chem., Vol. 80, p. 892-Article in journal (Refereed)
  • 34. Baron, V
    et al.
    Gutzmer, J
    Rundlöf, Håkan
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Tellgren, Roland
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Neutron powder diffraction study of Mn-bearing hematite, α-Fe2−xMnxO3, in the range 0 x 0.1762005In: Solid State Sciences, Vol. 7, no 6, p. 753-759Article in journal (Refereed)
    Abstract [en]

    A detailed neutron powder diffraction and calorimetric study was conducted to determine the influence of increasing Mn-substitution on the crystal and the magnetic structures of hematite, α-Fe2O3. The study was initiated to determine, if Mn substitution may be responsible for unusual ferromagnetic properties of natural hematite samples from the Kalahari Mn field, South Africa. Natural as well as synthetic Mn-bearing hematite samples with the compositional range Fe2−xMnxO3 (x=0 to 0.176) were examined. Calorimetric measurements were performed to determine the Néel TN and the Morin TM temperature transitions. All studied hematite samples, irrespective of chemical composition, display weak ferromagnetism at 295 K and coexistence of weak ferromagnetic and antiferromagnetic phases at 10 K. A slight decrease of the total magnetic moment and TM but a drastic decrease of TN can be attributed to increasing Mn-substitution. The results illustrate that Mn substitution may contribute but cannot be the sole reason for the unusual magnetic properties of natural hematite samples.

  • 35. Barrera, Tony
    et al.
    Spångberg, Daniel
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Hast, Anders
    Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Centre for Image Analysis.
    Bengtsson, Ewert
    Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Centre for Image Analysis.
    Vectorized table driven algorithms for double precision elementary functions using taylor expansions2009In: Aplimat: journal of applied mathematics, ISSN 1337-6365, Vol. 2, no 3, p. 171-187Article in journal (Refereed)
  • 36. Bartoszak-Adamska, E
    et al.
    Figlerowicz, M
    Wiewiorowski, M
    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.
    Olovsson, Ivar
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Jaskolski, M
    The influence of (O, N)-deuteration on the crystal and molecular structure, thermal stability and spectroscopic properties of 1,3-propanediammonium hydrogenphosphate monohydrate2000In: POLISH JOURNAL OF CHEMISTRY, ISSN 0137-5083, Vol. 74, no 3, p. 393-408Article in journal (Refereed)
    Abstract [en]

    Exchange of mobile hydrogen atoms in 1,3-propanediammonium hydrogenphosphate for deuterium (OH-->OD, NH-->ND) affects the thermal stability of the salt. Additionally, (O,N)-deuteration induces some unexpected changes in the -CH2- vibrations in the IR spec

  • 37.
    Baudin, 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.
    Wojcik, M
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Dynamics, structure and energetics of the (001), (011) and (111) surfaces of ceria.2000In: Surf. Sci., Vol. 468, p. 51-Article in journal (Refereed)
  • 38.
    Baudin, Micael
    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.
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Metal oxide surface dynamics from MD simulations: The alfa-alumina (0001) surface.2001In: Surf. Sci., Vol. 474, p. 107-Article in journal (Refereed)
  • 39.
    Baudin, Micael
    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.
    Wojcik, M.
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    MD simulations of an A12O3(ppp1,010)/CeO2(011,011) interface system.2001In: Thin Solid Films, Vol. 401, p. 159-Article in journal (Refereed)
  • 40.
    Baudin, Micael
    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.
    Wojcik, M
    Hermansson, Kersti
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. strukturkemi.
    Palmqvist, AEC
    Muhammed, M
    MD simulations of a doped ceria surface - very large surface ion motion2001In: CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, Vol. 335, no 5-6, p. 517-523Article in journal (Refereed)
    Abstract [en]

    Mean-square displacements (MSDs) and individual-ion square-displacements (ISDs) for the different constituents in Ca-doped CeO2(0 1 1) slabs at 300 K have been studied as a function of depth from the surface. Constant pressure-constant temperature MD simu

  • 41. 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

  • 42. 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)
  • 43.
    Berg, H.
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry.
    Rundlöf, Håkan
    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 LiMn2O4 to Lamda-MnO2 phase transition studied by in situ neutron diffraction.2001In: Solid State Ionics, Vol. 144, p. 65-Article in journal (Refereed)
  • 44. Bergstrom, Örjan
    et al.
    Andersson, AM
    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.
    A neutron diffraction cell for studying lithium-insertion processes in electrode materials1998In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, ISSN 0021-8898, Vol. 31, p. 823-825Article in journal (Other scientific)
    Abstract [en]

    An electrochemical cell has been constructed for in situ neutron diffraction studies of lithium-insertion/extraction processes in electrode materials for Li-ion batteries. Its key components are a Pyrex tube, gold plated on its inside, which functions as

  • 45. 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

  • 46. 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

  • 47. 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+.

  • 48. 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

  • 49. 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

  • 50. 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)
1234567 1 - 50 of 438
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