Thermal Expansion in Layered NaxMO2
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...
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| Published in | Scientific reports Vol. 8; no. 8; p. 3988 |
|---|---|
| Main Authors | , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
London
Nature Publishing Group
05.03.2018
Nature Publishing Group UK |
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| Online Access | Get full text |
| ISSN | 2045-2322 2045-2322 |
| DOI | 10.1038/s41598-018-22279-9 |
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| 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 (α a and α 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. |
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| AbstractList | Layered oxide Na
x
MO
2
(M: transition metal) is a promising cathode material for sodium-ion secondary battery. Crystal structure of O3- and P2-type Na
x
MO
2
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
MO
2
were reproduced. We further evaluated the thermal expansion coefficients (
α
a
and
α
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
MO
2
. Deviations of
z
from the model for P2-type Na
x
MO
2
are ascribed to Na vacancies characteristic to the structure. 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 (α a and α 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. |
| Author | Moritomo Yutaka Tanabe Daiki Akaba Takahiro Shimono Takahiro Yanagita Ayumu 守友 浩 Kobayashi Wataru 小林 航 |
| Author_xml | – sequence: 1 fullname: 小林 航 – sequence: 2 orcidid: 0000-0001-6584-7489 fullname: 守友 浩 – sequence: 3 fullname: Kobayashi Wataru – sequence: 4 fullname: Yanagita Ayumu – sequence: 5 fullname: Akaba Takahiro – sequence: 6 fullname: Shimono Takahiro – sequence: 7 fullname: Tanabe Daiki – sequence: 8 orcidid: 0000-0001-6584-7489 fullname: Moritomo Yutaka |
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| Snippet | 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... Layered oxide Na x MO 2 (M: transition metal) is a promising cathode material for sodium-ion secondary battery. Crystal structure of O3- and P2-type Na x MO 2... |
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| Title | Thermal Expansion in Layered NaxMO2 |
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