The atomic structure of a MgCo2O4 nanoparticle for a positive electrode of a Mg rechargeable battery

The atomic structure of a MgCo2O4 nanoparticle for a positive electrode of a Mg rechargeable battery

The atomic structure of a spinel-type MgCo2O4 nanoparticle was investigated by the reverse Monte Carlo modelling using X-ray and neutron total scattering data. It is found that Mg at an octahedral site induces a significant structural distortion, while Mg at a tetrahedral site is considered to move...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2019, Vol.55 (17), p.2517-2520
Hauptverfasser: Kitamura, Naoto, Tanabe, Yuhei, Ishida, Naoya, Idemoto, Yasushi
Format: Artikel
Sprache:eng
Schlagworte:
Atomic structure
Batteries
Computer simulation
Electrode materials
Electrodes
Lithium
Nanoparticles
Rechargeable batteries
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Zusammenfassung:The atomic structure of a spinel-type MgCo2O4 nanoparticle was investigated by the reverse Monte Carlo modelling using X-ray and neutron total scattering data. It is found that Mg at an octahedral site induces a significant structural distortion, while Mg at a tetrahedral site is considered to move easily to a vacant site. Based on the results, we propose a guideline for the development of a better positive electrode material for a Mg rechargeable battery.
ISSN:1359-7345
1364-548X
DOI:10.1039/c8cc09713e