Xiaoke Zhang , Guangfa Deng , Mianying Huang , Zhaohui Xu , Jianlin Huang , Xuan Xu , Zhiguang Xu , Maochan Li , Lei Hu , Xiaoming Lin
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引用次数: 0
摘要
解决用于锂离子电池(LIBs)和钠离子电池(SIBs)的基于过渡金属氧化物的阳极材料的低电导率和较差的循环耐久性问题已经成为迫切需要。在本文中,我们成功地合成了以Co-V-MOF(金属有机框架)为牺牲模板的Co2VO4/Co化合物,并研究了它们的电化学机理,以改善LIBs和SIBs的电化学性能。优化的堆积结构和金属Co的存在催化了自由基离子的形成,从而促进了更高的电导率,缩短了Li+和Na+的传输路径,并提供了更多的活性位点。以2-甲基咪唑为配体构建的Co2VO4/Co在LIB中0.1 a g−1和SIB中677.2 mA h g−1下循环300次后显示出1605.1 mA h g–1的放电容量。密度泛函理论(DFT)计算强调了Co2VO4/Co在提高电极导电性、降低迁移能垒从而增强电化学性能方面的关键作用。这种异质结构构建技术可能为高性能LIBs和SIB的开发铺平道路。此外,改善了过渡金属氧化物所面临的第一回路库仑效率低的问题。
From charge storage mechanism to performance: A strategy toward boosted lithium/sodium storage through heterostructure optimization
Solving the problems of low electrical conductivity and poor cycling durability in transition metal oxides-based anode materials for lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) has already turned into an urgent requirement. In this paper, we successfully synthesized Co2VO4/Co compounds with Co-V-MOF (metal-organic framework) as a sacrificial template and investigated their electrochemical mechanism in order to improve the electrochemical properties of LIBs and SIBs. The optimized heaping configuration and the existence of metallic Co catalyzed the formation of radical ions, thereby facilitating higher conductivity, shortening Li+ and Na+ transport paths, and providing more active sites. Co2VO4/Co constructed with 2-methylimidazole as a ligand showed a discharge capacity of 1605.1 mA h g−1 after 300 cycles at 0.1 A g−1 in LIB and 677.2 mA h g−1 in SIB. Density functional theory (DFT) calculation emphasizes the crucial role of Co2VO4/Co in enhancing electrode conductivity, decreasing the migratory energy barrier, and thereby strengthening electrochemical properties. This heterostructure building technique may pave the way for the development of high-performance LIBs and SIBs. Furthermore, the problem of the low first-loop coulombic efficiency faced by transition metal oxides is improved.