Oxygen Edge-Sharing Strategy in P2-Type Na0.67MnO2 Cathodes: Synergistic Enhancement of Intercalation Kinetics and Air Stability

IF 18.5 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Advanced Functional Materials Pub Date : 2025-01-05 DOI:10.1002/adfm.202420682

Yuanming Liu, Shiyu Wang, Weijie Fu, Shuyun Yao, Yingjie Ji, Jingxian Li, Lanlan Shi, Xiaojun Wang, Feike Zhang, Jinghua Yang, Ruilong Liu, Jiangzhou Xie, Zhiyu Yang, Yi-Ming Yan

{"title":"Oxygen Edge-Sharing Strategy in P2-Type Na0.67MnO2 Cathodes: Synergistic Enhancement of Intercalation Kinetics and Air Stability","authors":"Yuanming Liu, Shiyu Wang, Weijie Fu, Shuyun Yao, Yingjie Ji, Jingxian Li, Lanlan Shi, Xiaojun Wang, Feike Zhang, Jinghua Yang, Ruilong Liu, Jiangzhou Xie, Zhiyu Yang, Yi-Ming Yan","doi":"10.1002/adfm.202420682","DOIUrl":null,"url":null,"abstract":"Mn-based layered oxides have garnered significant attention as cathode materials for energy storage due to their environmental benignity and high theoretical specific capacity. However, practical applications remain constrained by sluggish Na+ intercalation kinetics and poor structural stability. In this study, it is engineered that the Mn-O-B unit through an oxygen edge-sharing strategy to modulate Mn─O covalency in P2-type Na0.67MnO2, thereby achieving high specific capacity and structural stability. Both experimental results and density functional theory (DFT) calculations reveal that increased TM-O covalency facilitates Na+ diffusion in P2-type Na0.67MnO2 while simultaneously enhancing air stability. The as-prepared P2-type Na0.67MnB0.05O2 exhibits a specific capacitance of 452 F g−1 at 1 A g−1, maintaining 96.75% capacity retention after 8800 cycles. This work elucidates the critical role of oxygen edge-sharing in optimizing interactions between transition metal and oxygen atoms, establishing a relationship between Mn─O structure and functional properties. These findings advance the development of high-performance energy storage technologies.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"36 1","pages":""},"PeriodicalIF":18.5000,"publicationDate":"2025-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Functional Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1002/adfm.202420682","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Mn-based layered oxides have garnered significant attention as cathode materials for energy storage due to their environmental benignity and high theoretical specific capacity. However, practical applications remain constrained by sluggish Na⁺ intercalation kinetics and poor structural stability. In this study, it is engineered that the Mn-O-B unit through an oxygen edge-sharing strategy to modulate Mn─O covalency in P2-type Na_0.67MnO₂, thereby achieving high specific capacity and structural stability. Both experimental results and density functional theory (DFT) calculations reveal that increased TM-O covalency facilitates Na⁺ diffusion in P2-type Na_0.67MnO₂ while simultaneously enhancing air stability. The as-prepared P2-type Na_0.67MnB_0.05O₂ exhibits a specific capacitance of 452 F g⁻¹ at 1 A g⁻¹, maintaining 96.75% capacity retention after 8800 cycles. This work elucidates the critical role of oxygen edge-sharing in optimizing interactions between transition metal and oxygen atoms, establishing a relationship between Mn─O structure and functional properties. These findings advance the development of high-performance energy storage technologies.

Abstract Image

查看原文本刊更多论文

p2型Na0.67MnO2阴极氧边共享策略：协同增强插层动力学和空气稳定性

锰基层状氧化物由于其环境友好性和较高的理论比容量而成为储能正极材料。然而，实际应用仍然受到Na+插入动力学缓慢和结构稳定性差的限制。在本研究中，设计了Mn-O- b单元通过氧边共享策略来调节p2型Na0.67MnO2中的Mn─O共价，从而获得高比容量和结构稳定性。实验结果和密度泛函理论（DFT）计算表明，TM-O共价的增加促进了Na+在p2型Na0.67MnO2中的扩散，同时提高了空气稳定性。制备的p2型Na0.67MnB0.05O2在1 a g−1时的比电容为452 F g−1，在8800次循环后保持96.75%的容量保持率。这项工作阐明了氧边共享在优化过渡金属和氧原子之间相互作用中的关键作用，建立了Mn─O结构和功能性质之间的关系。这些发现推动了高性能储能技术的发展。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Advanced Functional Materials 工程技术-材料科学：综合

CiteScore

29.50

自引率

4.20%

发文量

2086

审稿时长

2.1 months

期刊介绍： Firmly established as a top-tier materials science journal, Advanced Functional Materials reports breakthrough research in all aspects of materials science, including nanotechnology, chemistry, physics, and biology every week. Advanced Functional Materials is known for its rapid and fair peer review, quality content, and high impact, making it the first choice of the international materials science community.