Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials
<p>This thesis sets out to improve the understanding and development of sodium ion battery cathode materials. The thesis focuses on layered metal oxides across a range of compositions and seeks to develop models of the atomic structure that are more expressive of the actual systems than the cu...
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| Format: | Thesis |
| Language: | English |
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2024
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| _version_ | 1817931551665553408 |
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| author | Bridger, A |
| author2 | David, W |
| author_facet | David, W Bridger, A |
| author_sort | Bridger, A |
| collection | OXFORD |
| description | <p>This thesis sets out to improve the understanding and development of sodium ion battery cathode materials. The thesis focuses on layered metal oxides across a range of compositions and seeks to develop models of the atomic structure that are more expressive of the actual systems than the currently accepted approaches. In doing this multi-modal structural studies will be used, leveraging the individual advantages of Electron, X-ray and Neutron diffraction to produce a more complete model of the physical structures.</p>
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<p>The use of cutting-edge electron diffraction techniques which produce vast quantities of data, lead to the development of a novel semi-autonomous data-processing workflow, that is widely applicable to many material systems, not just battery cathode materials. This workflow is documented and investigated across a range of use cases, as well as being applied in the subsequent cathode studies.</p>
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<p>The electron diffraction workflow is used in conjunction with other complementary diffraction approaches, as well as pure computational studies, to develop atomic models for the series of cathode structures. The structural models developed provide a better fit to the experimental data gathered than the currently accepted models and identify a novel intra-layer sodium ion ordering scheme that has not been observed in the literature. Additionally the models express further ionic orderings, both intra-layer and inter-layer, that are supported by the experimental evidence and identify structural nuances which will effect battery performance, but are overlooked by current models.</p>
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<p>Finally, a methodology for studying oxidation state of Mn at a near atomic resolution level is discussed, with the workflow applied to the cathode material samples and the results tying into the insights of the structural models developed in the earlier chapters.</p> |
| first_indexed | 2024-12-09T03:23:49Z |
| format | Thesis |
| id | oxford-uuid:5b3198e3-7855-4c77-8e5f-f1bad1e1d2c2 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-12-09T03:23:49Z |
| publishDate | 2024 |
| record_format | dspace |
| spelling | oxford-uuid:5b3198e3-7855-4c77-8e5f-f1bad1e1d2c22024-11-22T12:25:11ZComplementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materialsThesishttp://purl.org/coar/resource_type/c_db06uuid:5b3198e3-7855-4c77-8e5f-f1bad1e1d2c2CrystallographyX-rays--diffractionEnergy storageStructural solutionHigh energy electron diffractionEnglishHyrax Deposit2024Bridger, ADavid, WDanaie, M<p>This thesis sets out to improve the understanding and development of sodium ion battery cathode materials. The thesis focuses on layered metal oxides across a range of compositions and seeks to develop models of the atomic structure that are more expressive of the actual systems than the currently accepted approaches. In doing this multi-modal structural studies will be used, leveraging the individual advantages of Electron, X-ray and Neutron diffraction to produce a more complete model of the physical structures.</p> <br> <p>The use of cutting-edge electron diffraction techniques which produce vast quantities of data, lead to the development of a novel semi-autonomous data-processing workflow, that is widely applicable to many material systems, not just battery cathode materials. This workflow is documented and investigated across a range of use cases, as well as being applied in the subsequent cathode studies.</p> <br> <p>The electron diffraction workflow is used in conjunction with other complementary diffraction approaches, as well as pure computational studies, to develop atomic models for the series of cathode structures. The structural models developed provide a better fit to the experimental data gathered than the currently accepted models and identify a novel intra-layer sodium ion ordering scheme that has not been observed in the literature. Additionally the models express further ionic orderings, both intra-layer and inter-layer, that are supported by the experimental evidence and identify structural nuances which will effect battery performance, but are overlooked by current models.</p> <br> <p>Finally, a methodology for studying oxidation state of Mn at a near atomic resolution level is discussed, with the workflow applied to the cathode material samples and the results tying into the insights of the structural models developed in the earlier chapters.</p> |
| spellingShingle | Crystallography X-rays--diffraction Energy storage Structural solution High energy electron diffraction Bridger, A Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials |
| title | Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials |
| title_full | Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials |
| title_fullStr | Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials |
| title_full_unstemmed | Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials |
| title_short | Complementary electron, X-ray and neutron diffraction analysis and automated characterisation of sodium-ion battery cathode materials |
| title_sort | complementary electron x ray and neutron diffraction analysis and automated characterisation of sodium ion battery cathode materials |
| topic | Crystallography X-rays--diffraction Energy storage Structural solution High energy electron diffraction |
| work_keys_str_mv | AT bridgera complementaryelectronxrayandneutrondiffractionanalysisandautomatedcharacterisationofsodiumionbatterycathodematerials |