Study of internal electric field and interface bonding engineered heterojunction for high stability lithium-ion battery anode

IF 3.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Vacuum Pub Date : 2024-10-19 DOI:10.1016/j.vacuum.2024.113756

Guoxu Zheng , Xinzhe Huang , Minqiang Xu , Liwei Mao , Qian Zhang , Zhuo Yuan , Zhiwei Liu , Mingxin Song

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Abstract

In this paper, SnO₂/Ni₂SnO₄ heterojunctions were grown on NF by a simple secondary hydrothermal method. DFT-based calculations show that the SnO₂/Ni₂SnO₄ heterojunction has excellent thermal stability with a low band gap (1.7 eV) and Li⁺ diffusion barrier (0.822 eV), which is attributed to the generation of an internal electric field that promotes carrier transport. Electrochemical tests showed that the initial capacity of SnO₂/Ni₂SnO₄/NF was 1401 mAh g⁻¹, and its capacity was 970 mAh g⁻¹ after 200 charge/discharge cycles, which is attributed to metal-oxygen bonds at the interface and a special microsphere structure to improve the stability of the materials. In addition, the electrochemical behavior of SnO₂/Ni₂SnO₄/NF is dominated by capacitive behavior, resulting in excellent rate performance. The synthesis of SnO₂/Ni₂SnO₄/NF provides a reference for designing other heterojunctions anode materials.

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用于高稳定性锂离子电池负极的内电场和界面键合工程异质结研究

本文采用简单的二次水热法在 NF 上生长了 SnO2/Ni2SnO4 异质结。基于 DFT 的计算表明，SnO2/Ni2SnO4 异质结具有优异的热稳定性，具有较低的带隙（1.7 eV）和 Li+ 扩散势垒（0.822 eV），这归功于内部电场的产生促进了载流子的传输。电化学测试表明，SnO2/Ni2SnO4/NF 的初始容量为 1401 mAh g-1，经过 200 次充放电循环后，其容量为 970 mAh g-1，这归功于界面上的金属氧键和特殊的微球结构提高了材料的稳定性。此外，SnO2/Ni2SnO4/NF 的电化学行为以电容行为为主，因此具有优异的速率性能。SnO2/Ni2SnO4/NF 的合成为设计其他异质结阳极材料提供了参考。

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来源期刊

Vacuum 工程技术-材料科学：综合

CiteScore

6.80

自引率

17.50%

发文量

审稿时长

34 days

期刊介绍： Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences. A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below. The scope of the journal includes: 1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes). 2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis. 3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification. 4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.