First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs-Reference-Cited by-同舟云学术

First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs

Published:2017 Issue:22 Volume:19 Page:14462-14470
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bianchini F.¹²³^ORCID,Fjellvåg H.¹²³,Vajeeston P.¹²³^ORCID

Affiliation:

1. Department of Chemistry University of Oslo

2. N-0315 Oslo

3. Norway

Abstract

We present a DFT-based study of Na orthosilicates Na₂MSIO₄ (M = Mn, Fe, CO, Ni), promising novel cathode materials. The configuration space is explored, and the Na intercalation potential and diffusion barriers are calculated.

Funder

Norges Forskningsråd

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01395G

Reference48 articles.

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3. Na2Ti3O7: an intercalation based anode for sodium-ion battery applications

4. Electrochemical performance of Li2FeSiO4 as a new Li-battery cathode material

5. Structure and electrochemical performance of Li2MnSiO4 and Li2FeSiO4 as potential Li-battery cathode materials

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