Elucidation of the high-voltage phase in the layered sodium ion battery cathode material P3–Na0.5Ni0.25Mn0.75O2

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dc.contributor.authorLiu, JTen_AU
dc.contributor.authorDidier, Cen_AU
dc.contributor.authorSale, Men_AU
dc.contributor.authorSharma, Nen_AU
dc.contributor.authorGuo, ZPen_AU
dc.contributor.authorPeterson, VKen_AU
dc.contributor.authorLing, CDen_AU
dc.date.accessioned2021-08-12T02:05:14Zen_AU
dc.date.available2021-08-12T02:05:14Zen_AU
dc.date.issued2020-09-30en_AU
dc.date.statistics2021-08-09en_AU
dc.description.abstractThe P3-type layered oxide Na0.5Ni0.25Mn0.75O2 is a promising manganese-rich positive electrode (cathode) material for sodium ion batteries, with a high working voltage of 4.2–2.5 V vs. Na+/Na and a high capacity of over 130 mA h g−1 when cycled at 10 mA g−1. However, its structural evolution during battery cycling – specifically, the nature of the high-voltage phase above 4 V – has never been fully understood, which has hindered efforts to rationally modify and improve its performance. In this work we use in situ neutron diffraction to show that the phase above 4 V is a modification of the intermediate O3 phase from which all sodium has been removed, and which consequently has a dramatically shorter interlayer distance. We label this fully Na-depleted phase O3s, such that the phase evolution with increasing voltage is P3 → O3 → O3s. Having elucidated its structure, we used first-principles calculations of the electronic structure as a function of sodium content to show that reversible oxygen redox plays a key role in the electrochemical activity of this O3s phase above 4 V. We also calculated the energies of oxygen/transition metal vacancies and found that the O3s phase should be relatively stable against their formation. The results will guide future research aimed at understanding and stabilizing the O3s phase, in order to improve the performance and cycling stability of this material in sodium ion batteries. © The Royal Society of Chemistry 2020en_AU
dc.identifier.citationLiu, J., Didier, C., Sale, M., Sharma, N., Guo, Z., Peterson, V. K., & Ling, C. D. (2020). Elucidation of the high-voltage phase in the layered sodium ion battery cathode material P3–Na0.5Ni0.25Mn0.75O2. Journal of Materials Chemistry A, 8(40), 21151-21162. doi.10.1039/D0TA06600Aen_AU
dc.identifier.issn2050-7496en_AU
dc.identifier.issue40en_AU
dc.identifier.journaltitleJournal of Materials Chemistry Aen_AU
dc.identifier.pagination21151-21162en_AU
dc.identifier.urihttps://doi.org/10.1039/D0TA06600Aen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11336en_AU
dc.identifier.volume8en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectElectric potentialen_AU
dc.subjectElectric batteriesen_AU
dc.subjectSodium ionsen_AU
dc.subjectCathodesen_AU
dc.subjectOxidesen_AU
dc.subjectManganeseen_AU
dc.titleElucidation of the high-voltage phase in the layered sodium ion battery cathode material P3–Na0.5Ni0.25Mn0.75O2en_AU
dc.typeJournal Articleen_AU
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