氧化还原
电化学
阴极
离子
插层(化学)
化学
电导率
快离子导体
无机化学
密度泛函理论
兴奋剂
化学工程
材料科学
化学物理
电极
电解质
有机化学
物理化学
计算化学
光电子学
工程类
作者
Yuxiang Chen,Xiangyue Liao,Min Xie,Peng Wang,Ji Chen,Xiaoqin Zhang,Haijiao Xie,Qiaoji Zheng,Dunmin Lin
标识
DOI:10.1021/acssuschemeng.4c04178
摘要
Sodium superionic conductor (NASICON) type Na3V2(PO4)3 has received much attention as one of the promising cathodes for sodium-ion batteries due to its stable three-dimensional framework structure; however, it suffers from poor electronic conductivity and unsatisfactory cycling stability during Na+ de/intercalation. Herein, we developed a high-entropy cathode of Na3VFe0.5(TiMnZrCuAl)0.5(PO4)3 (HE-NVP), utilizing the high-entropy effect to enhance the structural stability and introducing electrochemically active elements of Ti, Fe, and Mn to facilitate multioxidation reduction and mitigate the structural degradation. After high-entropy doping, the V4+/V5+ of the HE-NVP at the high potential is successfully activated in a wide voltage range, and six redox couples (V2+/3+ (1.6 V), Ti3+/4+ (2.2 V), Fe2+/3+ (2.5 V), V3+/4+/Mn2+/3+ (3.6 V), and V4+/5+ (4.0 V)) are reversibly converted to realize the reversible participation of multiple electrons in electrochemical processes. Consequently, the as-synthesized HE-NVP achieves a high specific capacity of 158.8 mAh g–1 at 0.5C, corresponding to an energy density of 524 Wh kg–1, and can be operated stably at 2C for 170 cycles with a capacity retention of up to 95%. The density functional theory calculations show a decrease in the bandgap of the HE-NVP, leading to an enhancement of the electronic conductivity, while the ex situ X-ray diffraction reveals a single-phase mechanism to store Na+, small volume variation, and good reversibility during charging and discharging for the HE-NVP. This work provides a flexible and broad strategy to achieve high energy density with long-term cycle stability in polyanionic materials by combining multielectron reaction with high entropy effects.
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