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Revealing the impacts of oxygen defects on Zn2+ storage performance in V2O5
Materials Today Energy ( IF 9.3 ) Pub Date : 2021-08-05 , DOI: 10.1016/j.mtener.2021.100824
Jin Cao 1, 2 , Dongdong Zhang 1, 2 , Yilei Yue 3 , Teerachote Pakornchote 4, 5 , Thiti Bovornratanaraks 4, 5 , Montree Sawangphruk 6 , Xinyu Zhang 3 , Jiaqian Qin 2
Affiliation  

Vanadium pentoxide (V2O5) featured with open-framework structure and various oxidation states is regarded as the most promising cathode of aqueous zinc-ion batteries (ZIBs), whereas sluggish Zn2+ diffusion kinetics and poor structural stability plague its further application. Herein, the oxygen defects have been introduced into V2O5 (V2O5-Od), the experimental studies and first-principles calculations reveal the oxygen defects can enlarge the interlayer spacing (7.58 Å) and significantly lower the Zn2+ diffusion energy barrier (0.72 eV), leading to favorable Zn2+ migration path and fast reactive kinetics. Moreover, a narrower bandgap (0.45 eV) and lower charge transfer resistance are obtained in V2O5-Od, thus accelerating the electron transportation and improving the Zn2+ storage performance (427.3 mAh/g at 0.1 A/g). In addition, the internal structure of V2O5 is well-maintained owing to the greatly reduced formation energy of V2O5-Od (55.04 eV), contributing to outstanding cycling stability (92.1% after 5,000 cycles at 20 A/g), outperforming numerous reported cathodes. Moreover, the pouch cell with V2O5-Od delivers admirable electrochemical performance and modular integration capabilities, suggestive of its excellent practical viability. Therefore, this research highlights the great potential of oxygen defects in designing advanced electrodes and offers a guideline for exploring the working mechanism of defective electrode materials.



中文翻译:

揭示氧缺陷对 V2O5 中 Zn2+ 存储性能的影响

五氧化二钒(V 2 O 5)具有开放骨架结构和多种氧化态,被认为是最有前途的水性锌离子电池(ZIBs)正极,而缓慢的Zn 2+扩散动力学和较差的结构稳定性阻碍了其进一步应用. 在此,氧缺陷被引入到 V 2 O 5 (V 2 O 5 -O d ) 中,实验研究和第一性原理计算表明氧缺陷可以扩大层间距 (7.58 Å) 并显着降低 Zn 2 +扩散能垒 (0.72 eV),导致有利的 Zn 2+迁移路径和快速反应动力学。此外,在V 2 O 5 -O d中获得更窄的带隙(0.45 eV)和更低的电荷转移电阻,从而加速电子传输并提高Zn 2+存储性能(427.3 mAh/g,0.1 A/g)。此外,由于 V 2 O 5 -O d (55.04 eV) 的形成能大大降低,V 2 O 5的内部结构得到很好的维护,有助于出色的循环稳定性(在 20 A/5,000 次循环后达到 92.1% g),优于许多报道的正极。此外,具有 V 2 O 5 -O的软包电池d提供令人钦佩的电化学性能和模块化集成能力,表明其出色的实用可行性。因此,这项研究突出了氧缺陷在设计先进电极方面的巨大潜力,并为探索有缺陷的电极材料的工作机制提供了指导。

更新日期:2021-08-21
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