期刊
JOURNAL OF MATERIALS CHEMISTRY A
卷 5, 期 25, 页码 12752-12756出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7ta02609a
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资金
- NSFC [21421001]
By first-principles computations, we propose Na2Mn3O7 as a high-rate cathode material for sodium ion batteries. Na2Mn3O7 has a voltage window of 3.6-3.1 V and a theoretical reversible capacity of 124 mA h g(-1). Na2Mn3O7 is a semiconductor and turns metallic after Na extraction; moreover, the calculated Na migration barrier in Na2Mn3O7 is 0.18 eV, ensuring ideal conductivity and rate capability.
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