Diffusion mechanism of Na ion–polaron complex in potential cathode materials NaVOPO4 and VOPO4 for rechargeable sodium-ion batteries

Author:

Luong Huu Duc12345ORCID,Pham Thi Dung12345,Morikawa Yoshitada678910ORCID,Shibutani Yoji12345,Dinh Van An12345ORCID

Affiliation:

1. NanoTechnology Program

2. Vietnam – Japan University

3. National University of Hanoi

4. Nam Tu Liem District

5. Vietnam

6. Department of Precision Science and Applied Physics

7. Graduate School of Engineering

8. Osaka University

9. Suita

10. Japan

Abstract

Using the density functional method, we investigated the crystal and electronic structures and the electrochemical properties of NaxVOPO4 (x = 0, 1) and explored the diffusion mechanism of Na ions in these materials.

Funder

Japan International Cooperation Agency

Osaka University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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