Theoretical study on Y-doped Na<sub>2</sub>ZrO<sub>3</sub> as a high-capacity Na-rich cathode material based on anionic redox-Reference-Cited by-同舟云学术

Theoretical study on Y-doped Na₂ZrO₃ as a high-capacity Na-rich cathode material based on anionic redox

Published:2022 Issue:26 Volume:24 Page:16183-16192
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yin Huimin¹,Huang Jiajia¹^ORCID,Luo Ningjing¹,Zhang Yongfan¹,Huang Shuping¹²^ORCID

Affiliation:

1. College of Chemistry, Fuzhou University, Fuzhou, Fujian 350108, P. R. China

2. Fujian Provincial Key Laboratory of Electrochemical Energy Storage Materials, Fuzhou, Fujian 350108, P. R. China

Abstract

DFT calculations were used to study the performance of Na2ZrO3 and Y-doped Na2ZrO3 as cathode materials for sodium ion batteries, including the stability of desodiated structures, desodiation energy, redox mechanism, and diffusion of Na ion.

Funder

Natural Science Foundation of Fujian Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02219B

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4. Na-Ion Batteries for Large Scale Applications: A Review on Anode Materials and Solid Electrolyte Interphase Formation

5. Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1–x–yCoxMnyO2 and LiNi1–x–yCoxAlyO2

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