Show simple item record

2021-07-06Zeitschriftenartikel DOI: 10.18452/26121
Structural Aspects of P2-Type Na0.67Mn0.6Ni0.2Li0.2O2 (MNL) Stabilization by Lithium Defects as a Cathode Material for Sodium-Ion Batteries
dc.contributor.authorYang, Liangtao
dc.contributor.authorKuo, Liang-Yin
dc.contributor.authorLopez del Amo, Juan Miguel
dc.contributor.authorNayak, Prasant Kumar
dc.contributor.authorMazzio, Katherine
dc.contributor.authorMaletti, Sebastian
dc.contributor.authorMikhailova, Daria
dc.contributor.authorGiebeler, Lars
dc.contributor.authorKaghazchi, Payam
dc.contributor.authorRojo, Teófilo
dc.contributor.authorAdelhelm, Philipp
dc.date.accessioned2023-02-24T12:58:14Z
dc.date.available2023-02-24T12:58:14Z
dc.date.issued2021-07-06none
dc.identifier.urihttp://edoc.hu-berlin.de/18452/26786
dc.description.abstractA known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na0.67Mn0.6Ni0.2Li0.2O2 is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g-1 after 100 cycles. In contrast, the Li-free compositions Na0.67Mn0.6Ni0.4O2 and Na0.67Mn0.8Ni0.2O2 show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni3+/Ni4+ and O2-/O2-δ redox processes by DFT, although a small contribution from Mn4+/Mn5+ to the capacity cannot be excluded.eng
dc.language.isoengnone
dc.publisherHumboldt-Universität zu Berlin
dc.rights(CC BY 4.0) Attribution 4.0 Internationalger
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectDFTeng
dc.subjectlayered oxideseng
dc.subjectLi dopingeng
dc.subjectNa0.67Mn0.6Ni0.2Li0.2O2 cathodeseng
dc.subjectsodium ion batterieseng
dc.subjectssNMReng
dc.subjectXRDeng
dc.subject.ddc530 Physiknone
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftennone
dc.subject.ddc620 Ingenieurwissenschaften und zugeordnete Tätigkeitennone
dc.titleStructural Aspects of P2-Type Na0.67Mn0.6Ni0.2Li0.2O2 (MNL) Stabilization by Lithium Defects as a Cathode Material for Sodium-Ion Batteriesnone
dc.typearticle
dc.identifier.urnurn:nbn:de:kobv:11-110-18452/26786-4
dc.identifier.doihttp://dx.doi.org/10.18452/26121
dc.type.versionpublishedVersionnone
local.edoc.pages9none
local.edoc.type-nameZeitschriftenartikel
local.edoc.container-typeperiodical
local.edoc.container-type-nameZeitschrift
dc.description.versionPeer Reviewednone
dc.identifier.eissn1616-3028
dcterms.bibliographicCitation.doi10.1002/adfm.202102939
dcterms.bibliographicCitation.journaltitleAdvanced functional materialsnone
dcterms.bibliographicCitation.volume31none
dcterms.bibliographicCitation.issue38none
dcterms.bibliographicCitation.articlenumber2102939none
dcterms.bibliographicCitation.originalpublishernameWiley-VCHnone
dcterms.bibliographicCitation.originalpublisherplaceWeinheimnone
bua.departmentMathematisch-Naturwissenschaftliche Fakultätnone

Show simple item record