Enhancing carrier transfer properties of Na-rich anti-perovskites, Na<sub>4</sub>OM<sub>2</sub> with tetrahedral anion groups: an evaluation through first-principles computational analysis-Reference-Cited by-同舟云学术

Enhancing carrier transfer properties of Na-rich anti-perovskites, Na₄OM₂ with tetrahedral anion groups: an evaluation through first-principles computational analysis

Published:2024 Issue:25 Volume:26 Page:17934-17943
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Xu Shenglin¹²,Zhao Qinfu¹,Zhang Ronglan²,Suo Bingbing¹,Song Qi¹^ORCID

Affiliation:

1. Shaanxi Key Laboratory for Theoretical Physic Frontiers, Institute of Modern Physics, Northwest University, Xi’an, 710069, P. R. China

2. Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, National Demonstration Center for Experimental Chemistry Education (Northwest University), Northwest University, Xi'an, Shaanxi, 710069, P. R. China

Abstract

Sodium ions migrate through migration gates (MGs) in Na4O(BH4)2 and cause rotation of the [BH4]− clusters that make up MGs.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shaanxi Province

Natural Science Basic Research Program of Shaanxi Province

Northwest University

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04162J

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5. Structural manipulation approaches towards enhanced sodium ionic conductivity in Na-rich antiperovskites