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基于金属有机框架衍生的锌钒基氧化物,具有电荷存储机制,作为高性能阳极材料用于增强锂和钠存储。

Metal-organic-framework derived Zn-V-based oxide with charge storage mechanism as high-performance anode material to enhance lithium and sodium storage.

作者信息

Zhang Xiaoke, Huang Mianying, Peng Zhijian, Sang Xiaoyan, Liu Yiqing, Xu Xuan, Xu Zhiguang, Zeb Akif, Wu Yongbo, Lin Xiaoming

机构信息

Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, PR China.

National Engineering Research Center for Carbohydrate Synthesis, Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, Jiangxi Normal University, Nanchang 330022, China.

出版信息

J Colloid Interface Sci. 2023 Dec 15;652(Pt B):1394-1404. doi: 10.1016/j.jcis.2023.08.139. Epub 2023 Aug 23.

Abstract

Transition metal oxides have been extensively studied due to their large theoretical capacities, but their practical application has been hampered by low electrical conductivity and dramatic volume fluctuation during cycling. In this work, we synthesized ZnVO material using Zn-V-MOF (metal-organic framework) as a sacrificial template to improve the electrochemical characteristics of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs). Unique dodecahedral structure, larger specific surface area and higher ability to mitigate volume changes, improve the electrochemical reaction active site while accelerating ion transport. ZnVO with 2-methylimidazole as a ligand demonstrated a discharge capacity of 1225.9 mAh/g in LIBs and 761.6 mAh/g in SIBs after 300 cycles at 0.2 C. Density functional theory (DFT) calculation illustrates the smaller diffusion barrier energy and higher specific capacity in LIBs that is ascribed to the fact that Li has a smaller size and hence its diffusion is easier. This study may lead to a path for the manufacturing of high-performance LIBs and SIBs.

摘要

过渡金属氧化物因其巨大的理论容量而受到广泛研究,但其实际应用却受到低电导率和循环过程中显著的体积波动的阻碍。在这项工作中,我们以锌-钒金属有机框架(Zn-V-MOF)为牺牲模板合成了ZnVO材料,以改善锂离子电池(LIBs)和钠离子电池(SIBs)的电化学特性。独特的十二面体结构、更大的比表面积以及更高的缓解体积变化的能力,改善了电化学反应活性位点,同时加速了离子传输。以2-甲基咪唑为配体的ZnVO在0.2 C下循环300次后,在LIBs中的放电容量为1225.9 mAh/g,在SIBs中的放电容量为761.6 mAh/g。密度泛函理论(DFT)计算表明,LIBs中较小的扩散势垒能量和较高的比容量归因于Li的尺寸较小,因此其扩散更容易。这项研究可能为高性能LIBs和SIBs的制造开辟一条道路。

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