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Issue 25, 2017
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First-principles computational studies on layered Na2Mn3O7 as a high-rate cathode material for sodium ion batteries

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Abstract

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.

Graphical abstract: First-principles computational studies on layered Na2Mn3O7 as a high-rate cathode material for sodium ion batteries

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Submitted
24 Mar 2017
Accepted
28 May 2017
First published
30 May 2017

J. Mater. Chem. A, 2017,5, 12752-12756
Article type
Communication

First-principles computational studies on layered Na2Mn3O7 as a high-rate cathode material for sodium ion batteries

Z. Zhang, D. Wu, X. Zhang, X. Zhao, H. Zhang, F. Ding, Z. Xie and Z. Zhou, J. Mater. Chem. A, 2017, 5, 12752
DOI: 10.1039/C7TA02609A

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