镁离子电池用MgMn2O4制备的稳定聚苯胺基正极材料:实验和DFT研究

IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL
Soheila Javadian , Rezvan Rostami , Esmaeil Pakizeh , Nima Dalir , Hussein Gharibi , Mokhtar Nasrolahpour , Ali Zeinodiny
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引用次数: 0

摘要

水可充电镁离子电池(ARMIB)是替代锂离子电池的一个有吸引力的选择,因为镁在地壳中丰富且易于获取,使其成为储能的可行替代方案。由于镁离子在固体中的缓慢扩散速度限制了其性能,因此缺乏先进的电极材料也阻碍了实际ARMIB的发展。在这项研究中,我们成功地开发了一种基于MgMn2O4 (MMO)和聚苯胺(PANI)复合材料的ARMIB阴极,该阴极具有高能量密度、稳定性和可逆性。用x射线衍射和扫描电镜对合成的产物和结构进行了表征。MgMn2O4/聚苯胺(MMP:1)复合材料(MMP是聚苯胺的5倍)阴极在500 mA g-1电流密度下可获得232 mA h g-1的高放电容量,并且在250次循环后具有优异的长期循环稳定性,容量保持率为73%。此外,利用密度泛函理论和计算细节来监测镁的储存过程、离子的迁移能垒和结构的电子性质。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Stable polyaniline-based cathode material enabled by MgMn2O4 for aqueous magnesium-ion batteries: Experimental and DFT study

Stable polyaniline-based cathode material enabled by MgMn2O4 for aqueous magnesium-ion batteries: Experimental and DFT study
Aqueous rechargeable magnesium ion batteries (ARMIB) are an attractive option for replacing lithium-ion batteries because magnesium is abundant and easily accessible in the earth's crust, making it a viable alternative for energy storage. The development of practical ARMIB is also hindered by the lack of advanced electrode materials, as the slow diffusion rate of magnesium ions in solids limits their performance. In this research, we successfully developed a cathode based on composite of MgMn2O4 (MMO) and polyaniline (PANI) for ARMIB that achieves high energy density, stability and reversibility. The successful synthesis and the desired structure were examined using X-ray diffraction and scanning electron microscopy. The MgMn2O4/Polyaniline (MMP 5:1) composite, which MMO is 5 times PANI, cathode can achieve high discharge capacities of 232 mA h g−1 at a current density of 500 mA g−1 and extraordinary long-term cycling stability with 73 % capacity retention after 250 cycles. Furthermore, density functional theory and computational details were conducted to monitor the Mg storage process, migration energy barrier of ions and electronic properties of structure.
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来源期刊
Journal of Alloys and Compounds
Journal of Alloys and Compounds 工程技术-材料科学:综合
CiteScore
11.10
自引率
14.50%
发文量
5146
审稿时长
67 days
期刊介绍: The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.
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