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Soft X-ray Emission Spectroscopy of Liquids and Lithium Battery Materials
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
2004 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Lithium ion insertion into electrode materials is commonly used in rechargeable battery technology. The insertion implies changes in both the crystal structure and the electronic structure of the electrode material. Side-reactions may occur on the surface of the electrode, which is exposed to the electrolyte and form a solid electrolyte interface (SEI). The understanding of these processes is of great importance for improving battery performance. The chemical and physical properties of water and alcohols are complicated by the presence of strong hydrogen bonding. Various experimental techniques have been used to study geometrical structures and different models have been proposed to view the details of how these liquids are geometrically organized by hydrogen bonding. However, very little is known about the electronic structure of these liquids, mainly due to the lack of suitable experimental tools.

This thesis addresses the electronic structure of liquids and lithium battery materials using resonant inelastic X-ray scattering (RIXS) at high brightness synchrotron radiation sources. The electronic structure of battery electrodes has been probed, before and after lithiation, studying the doping of electrons into the host material. The chemical composition of the SEI on cycled graphite electrodes was determined. The local electronic structure of water, methanol and mixtures of the two have been examined using a special liquid cell. Results from the study of liquid water showed a strong influence on the 3a1 molecular orbital and orbital mixing between molecules upon hydrogen bonding. The study of methanol showed the existence of ring and chain formations in the liquid phase and the dominating structures are formed of 6 and 8 molecules. Upon mixing of the two liquids, a segregation at the molecular level was found and the formation of new structures, which could explain the unexpected low increase of the entropy.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis , 2004. , p. 51
Series
Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1104-232X ; 1008
Keyword [en]
Atomic and molecular physics, Soft X-ray emission, resonant inelastic X-ray scattering, lithium battery, electronic structure, liquid water
Keyword [sv]
Atom- och molekylfysik
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:uu:diva-4526ISBN: 91-554-6028-3 (print)OAI: oai:DiVA.org:uu-4526DiVA, id: diva2:165040
Public defence
2004-10-11, Polhemsalen, Ångström Laboratory, Lägerhyddsvägen 1, Uppsala, 13:15
Opponent
Supervisors
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
List of papers
1. Solid Electrolyte Interphase on Graphite Li-ion Battery Anodes Studied by Soft X-ray Spectroscopy
Open this publication in new window or tab >>Solid Electrolyte Interphase on Graphite Li-ion Battery Anodes Studied by Soft X-ray Spectroscopy
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2004 In: Physical Chemistry Chemical Physics, ISSN 1463-9076, Vol. 6, no 16, p. 4185-4189Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92072 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
2. The electronic structure of LiC6 studied by RIXS
Open this publication in new window or tab >>The electronic structure of LiC6 studied by RIXS
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Manuscript (Other academic)
Identifiers
urn:nbn:se:uu:diva-92073 (URN)
Available from: 2004-09-17 Created: 2004-09-17 Last updated: 2010-01-13Bibliographically approved
3. Lithium Ion Insertion in Nanoporous Anatase TiO2 Studied with RIXS
Open this publication in new window or tab >>Lithium Ion Insertion in Nanoporous Anatase TiO2 Studied with RIXS
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2003 In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 119, no 7, p. 3983-3987Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92074 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
4. The electronic structure and lithiation of electrodes based on vanadium-oxide nanotubes
Open this publication in new window or tab >>The electronic structure and lithiation of electrodes based on vanadium-oxide nanotubes
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2003 In: Journal of Applied Physics, ISSN 0021-8979, Vol. 94, no 8, p. 5083-5087Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92075 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
5. The Redox Behavior of Vanadium Oxide Nanotubes As Studied by X-ray Photoelectron Spectroscopy and Soft X-ray Absorption Spectroscopy
Open this publication in new window or tab >>The Redox Behavior of Vanadium Oxide Nanotubes As Studied by X-ray Photoelectron Spectroscopy and Soft X-ray Absorption Spectroscopy
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2003 In: Chemistry of Materials, ISSN 0897-4756, Vol. 15, no 16, p. 3227-3232Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92076 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
6. Li insertion into V6O13 battery cathodes studied by soft x-ray spectroscopies
Open this publication in new window or tab >>Li insertion into V6O13 battery cathodes studied by soft x-ray spectroscopies
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2004 In: Journal of Applied Physics, ISSN 0021-8979, Vol. 95, no 11, p. 6444-6449Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92077 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
7. Electronic Structure of Li-inserted V6O13 Battery Cathodes: Rigid Band Behavior and Effects of Hybridization
Open this publication in new window or tab >>Electronic Structure of Li-inserted V6O13 Battery Cathodes: Rigid Band Behavior and Effects of Hybridization
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In: Applied Physics Letters, ISSN 0003-6951Article in journal (Refereed) Submitted
Identifiers
urn:nbn:se:uu:diva-92078 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
8. X-Ray Emission Spectroscopy of Hydrogen Bonding and Electronic Structure of Liquid Water
Open this publication in new window or tab >>X-Ray Emission Spectroscopy of Hydrogen Bonding and Electronic Structure of Liquid Water
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2002 In: Physical Review Letters, ISSN 0031-9007, Vol. 89, no 13, p. 137402-Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92079 (URN)
Available from: 2004-09-17 Created: 2004-09-17 Last updated: 2011-11-04Bibliographically approved
9. Local structures of liquid water studied by x-ray emission spectroscopy
Open this publication in new window or tab >>Local structures of liquid water studied by x-ray emission spectroscopy
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2004 In: Physical Review B (Condensed Matter and Materials Physics -1(II)), ISSN 1098-0121, Vol. 69, p. 024201-Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92080 (URN)
Available from: 2004-09-17 Created: 2004-09-17 Last updated: 2011-11-04Bibliographically approved
10. Molecular Structure of Alcohol-water Mixtures
Open this publication in new window or tab >>Molecular Structure of Alcohol-water Mixtures
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2003 In: Physical Review Letters, ISSN 0031-9007, Vol. 91, no 15, p. 157401-Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92081 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
11. Resonant soft x-ray emission of solids and liquids
Open this publication in new window or tab >>Resonant soft x-ray emission of solids and liquids
2004 In: Journal of Alloys and Compounds, ISSN 0925-8388, Vol. 362, no 1-2, p. 116-123Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92082 (URN)doi:10.1016/S0925-8388(03)00571-1 (DOI)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
12. Resonant soft-x-ray emission spectroscopy applied to liquids
Open this publication in new window or tab >>Resonant soft-x-ray emission spectroscopy applied to liquids
2004 In: AIP Conference Proceedings, ISSN 0094-243X, Vol. 705, no 1, p. 1066-1070Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92083 (URN)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
13. The molecular structure of alcohol-water mixtures determined by soft-X-ray absorption and emission spectroscopy
Open this publication in new window or tab >>The molecular structure of alcohol-water mixtures determined by soft-X-ray absorption and emission spectroscopy
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2004 In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, Vol. 137-140, p. 425-428Article in journal (Refereed) Published
Identifiers
urn:nbn:se:uu:diva-92084 (URN)doi:10.1016/j.elspec.2004.02.094 (DOI)
Available from: 2004-09-17 Created: 2004-09-17Bibliographically approved
14. Dynamics of core-excitations in liquid water
Open this publication in new window or tab >>Dynamics of core-excitations in liquid water
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Manuscript (Other academic)
Identifiers
urn:nbn:se:uu:diva-92085 (URN)
Available from: 2004-09-17 Created: 2004-09-17 Last updated: 2010-01-13Bibliographically approved
15. Resonant Inelastic X-ray Scattering at the Ti L Edge of Doped Strontium Titanates
Open this publication in new window or tab >>Resonant Inelastic X-ray Scattering at the Ti L Edge of Doped Strontium Titanates
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Manuscript (Other academic)
Identifiers
urn:nbn:se:uu:diva-92086 (URN)
Available from: 2004-09-17 Created: 2004-09-17 Last updated: 2010-01-13Bibliographically approved

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