Engineering twin structures and substitutional dopants in ZnSe0.7Te0.3 anode material for enhanced sodium storage performance

IF 14.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Jingui Zong, Yazhan Liang, Fan Liu, Mingzhe Zhang, Kepeng Song, Jinkui Feng, Baojuan Xi, Shenglin Xiong
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Abstract

Compared with lithium-ion batteries (LIBs), sodium-ion batteries (SIBs) are an alternative technology for future energy storage due to their abundant resources and economic benefits. Constructing various defects is considered to be a common viable means of improving the performance of sodium storage. However, it is of significance to thoroughly scrutinize the formation mechanism of defects and their effects and transition during the charge–discharge process. Here, twin structures are introduced into ZnSe0.7Te0.3 nanocrystals by doping of Te heteroatoms. The Te dopants are visualized to locate in the lattices of ZnSe by spherical aberration electron microscopy. The formation of twin structures is thermodynamically promoted by Te heteroatoms partially replacing Se based on the theoretical calculation results. Moreover, calculation results show that with the increase of twin boundaries (TBs), the sodium diffusion energy barrier is greatly reduced, which helps the kinetics of sodium ion diffusion. In the connection, the composition and amount of TBs are optimized via tuning the doping level. The combined effect of point defects and twin structures greatly improves the sodium storage performance of ZnSe0.7Te0.3@C. Our work reveals the mechanism of the point defect on the twin plane defect and systematically investigates their effect on the electrochemical performance.

Abstract Image

在ZnSe0.7Te0.3负极材料中采用工程双晶结构和取代掺杂提高钠存储性能
与锂离子电池(LIBs)相比,钠离子电池(SIBs)以其丰富的资源和经济效益成为未来储能的替代技术。构建各种缺陷被认为是提高钠存储性能的一种常见可行的方法。然而,深入研究缺陷的形成机制及其在充放电过程中的影响和转变具有重要意义。通过掺杂Te杂原子,在ZnSe0.7Te0.3纳米晶体中引入了孪晶结构。通过球差电镜观察发现Te掺杂物位于ZnSe晶格中。理论计算结果表明,Te杂原子部分取代Se促进了孪晶结构的形成。计算结果表明,随着孪晶界(TBs)的增加,钠离子扩散能垒大大降低,有利于钠离子扩散动力学。在该连接中,通过调整掺杂水平来优化TBs的组成和数量。点缺陷和孪晶结构的共同作用大大提高了ZnSe0.7Te0.3@C的储钠性能。我们的工作揭示了双平面缺陷上点缺陷的形成机理,并系统地研究了它们对电化学性能的影响。
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来源期刊
Nature Communications
Nature Communications Biological Science Disciplines-
CiteScore
24.90
自引率
2.40%
发文量
6928
审稿时长
3.7 months
期刊介绍: Nature Communications, an open-access journal, publishes high-quality research spanning all areas of the natural sciences. Papers featured in the journal showcase significant advances relevant to specialists in each respective field. With a 2-year impact factor of 16.6 (2022) and a median time of 8 days from submission to the first editorial decision, Nature Communications is committed to rapid dissemination of research findings. As a multidisciplinary journal, it welcomes contributions from biological, health, physical, chemical, Earth, social, mathematical, applied, and engineering sciences, aiming to highlight important breakthroughs within each domain.
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