Supporting data-Nature of the z-phase in layered na-ion battery cathodes

Bruce, P

Documentation:: Data was created in PGB lab during 2017-2018

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APA Style

Bruce, P. (2019). Supporting data-Nature of the z-phase in layered na-ion battery cathodes. University of Oxford.

MLA Style

Bruce, P. Supporting Data-Nature of the z-Phase in Layered Na-Ion Battery Cathodes. University of Oxford, 2019.

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Bruce, P. 2019. Supporting Data-Nature of the z-Phase in Layered Na-Ion Battery Cathodes. University of Oxford.
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Authors/Creators

+ Bruce, P More by this author/creator

Department:: Materials
Role:: Principal Investigator (PI), Creator, Creator

+ Faraday Institution More from this funder

Grant:: FIRG007, FIRG008

+ SUPERGEN Energy Storage Hub More from this funder

Grant:: EP/L019469/1

+ Henry Royce Institute capital equipment More from this funder

Grant:: EP/R010145/1

+ Enabling Next Generation Lithium Batteries More from this funder

Grant:: EP/M009521/1

Publisher:: University of Oxford
Publication date:: 2019
DOI:: 10.5287/bodleian:9Rajw9NDY

Language:: English
Pubs id:: 1480212
UUID:: uuid:bc390864-a4a9-44d9-9261-3938ea3cedb8
Local pid:: pubs:1480212
Deposit date:: 2019-04-12
ARK identifier:: ark:/29072/ora_bc390864a4a944d992613938ea3cedb8

Related item:: ORA link: Nature of the “Z”-phase in layered Na-ion battery cathodes
External link:: Nature of the Z-phase in layered Na-ion battery cathodes
Description:: Layered sodium transition metal oxides with the P2 structure, e.g. Na2/3[Ni1/3Mn2/3]O2, are regarded as candidates for Na-ion battery cathodes. On charging, extraction of Na destabilizes the P2 phase (ABBA oxide ion stacking) in which Na+ is in trigonal prismatic coordination, resulting in layer gliding and formation of an O2 phase (ABAC stacking) with octahedral coordination. However, many related compounds do not exhibit such a simple P2 to O2 transition but rather form a so called “Z”-phase. Substituting Ni by Fe in Na2/3[Ni1/3Mn2/3]O2 is attractive as it reduces cost. The Fe containing compounds, such as Na2/3[Ni1/6Mn1/2Fe1/3]O2, form a “Z”-phase when charged above 4.1 V vs. Na+/Na. By combining ex situ and operando X-ray diffraction with scanning transmission electron microscopy and simulated diffraction patterns, we demonstrate that the “Z”-phase is most accurately described as a continuously changing intergrowth structure which evolves from P2 to O2 through the OP4 structure as an intermediate. On charging, Na+ removal results in O-type stacking faults within the P2 structure which increase in proportion. At 50% O-type stacking faults, the ordered OP4 phase forms and on further charging more O-type stacking faults are formed progressing towards a pure O2 structure. This gives the superficial appearance of a solid solution. Furthermore, in contrast to some previous studies, we did not detect Fe migration at any state-of-charge using 57Fe-Mössbauer spectroscopy. It was, however, found that the Fe-substitution serves to disrupt cation ordering in the material.https://ora.ox.ac.uk/objects/uuid:0f4b099a-6395-4f63-8bf0-33354f3cc434

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