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Thermal Expansion in Layered Na x MO2.


ABSTRACT: Layered oxide Na x MO2 (M: transition metal) is a promising cathode material for sodium-ion secondary battery. Crystal structure of O3- and P2-type Na x MO2 with various M against temperature (T) was systematically investigated by synchrotron x-ray diffraction mainly focusing on the T-dependences of a- and c-axis lattice constants (a and c) and z coordinate (z) of oxygen. Using a hard-sphere model with minimum Madelung energy, we confirmed that c/a and z values in O3-type Na x MO2 were reproduced. We further evaluated the thermal expansion coefficients (? a and ? c ) along a- and c-axis at 300?K. The anisotropy of the thermal expansion was quantitatively reproduced without adjustable parameters for O3-type Na x MO2. Deviations of z from the model for P2-type Na x MO2 are ascribed to Na vacancies characteristic to the structure.

SUBMITTER: Kobayashi W 

PROVIDER: S-EPMC5838218 | biostudies-other | 2018 Mar

REPOSITORIES: biostudies-other

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