Insight into the diffusion mechanism of sodium ion-polaron complexes in orthorhombic P2 layered cathode oxide NaxMnO2

Insight into the diffusion mechanism of sodium ion-polaron complexes in orthorhombic P2 layered cathode oxide NaxMnO2

Using the density functional theory, we investigated the geometric, electronic structure, phase stability and electrochemical properties of a potential P2 layer orthorhombic cathode material NaxMnO2(0

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2020-08, Vol.22 (32), p.18219-18228
Hauptverfasser: Huu Duc Luong, Van An Dinh, Momida, Hiroyoshi, Oguchi, Tamio
Format: Artikel
Sprache:eng
Schlagworte:
Activation energy
Cathodes
Chemistry
Chemistry, Physical
Density functional theory
Diffusion layers
Diffusion rate
Electrochemical analysis
Electrode materials
Electronic structure
Ion diffusion
Lithium
Manganese ions
Olivine
Phase stability
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
Polarons
Rechargeable batteries
Science & Technology
Sodium-ion batteries
Structural stability
Vacancies
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Zusammenfassung:Using the density functional theory, we investigated the geometric, electronic structure, phase stability and electrochemical properties of a potential P2 layer orthorhombic cathode material NaxMnO2(0
ISSN:1463-9076
1463-9084
DOI:10.1039/d0cp03208e