Fluorine-induced dual defects in NiP2 anode with robust sodium storage performance
Fluorine-induced dual defects in NiP2 anode with robust sodium storage performance
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DOI：
10.1007/s12274-021-3852-7
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发表时间：
2021-10
期刊：
影响因子：
9.9
通讯作者：
Liangliang Wu;Lifeng Wang;Xiaolong Cheng;Mingze Ma;Ying Wu;Xiaojun Wu;Hengpan Yang;Yan Yu
中科院分区：
文献类型：
--
作者：
Liangliang Wu;Lifeng Wang;Xiaolong Cheng;Mingze Ma;Ying Wu;Xiaojun Wu;Hengpan Yang;Yan Yu
金属磷化物由于其理论容量高、工作电压适宜、资源丰富等优点，在钠离子电池负极方面显示出巨大的应用潜力。然而，由于内部磷（P）组分对Na+的反应活性低，体积变化大，实际容量低，容量衰减快，严重阻碍了NiP 2阳极的应用。本文成功尝试了通过杂原子掺杂和引入空位缺陷来增强Na+吸附位点和扩散动力学来调节NiP 2的电子结构。在NIBs中，F-NiP 2 @碳纳米片（F-NiP 2 @carbon nanosheets）作为负极，具有较高的可逆容量（0.1 A·g-1时为585 mAh·g-1）和优异的长循环稳定性（2 A·g-1时为244 mAh·g-1，超过1,000次循环）.密度泛函理论（DFT）计算结果表明，F的掺杂导致了P空位的形成，增加了Na+的吸附能，促进了内部P组分的合金化.评价了F-NiP 2 @碳纳米片//Na 3V 2（PO 4）3全电池，其显示出稳定的长循环寿命。杂原子掺杂诱导的双缺陷策略为金属磷化物贮钠开辟了一条新的途径。
Metal phosphides have shown great application potential as anode for sodium-ion batteries (NIBs) owing to high theoretical capacity, suitable operation voltage and abundant resource. Unfortunately, the application of NiP2anode is severely impeded by low practical capacity and fast capacity decay due to the huge volume variation and low reactivity of internal phosphorus (P) component towards Na+. Herein, electronic structure modulation of NiP2via heteroatoms doping and introducing vacancies defects to enhance Na+adsorption sites and diffusion kinetics is successfully attempted. The as-synthesized three-dimensional (3D) bicontinuous carbon matrix decorated with well-dispersed fluorine (F)-doped NiP2nanoparticles (F-NiP2@carbon nanosheets) delivers a high reversible capacity (585 mAh·g-1at 0.1 A·g-1) and excellent long cycling stability (244 mAh·g-1over 1,000 cycles at 2 A·g-1) when tested as anode in NIBs. Density functional theory (DFT) calculations reveal that F doping in NiP2induces the formation of P vacancies with increased Na+adsorption energy and accelerates the alloying of internal P component. The F-NiP2@carbon nanosheets//Na3V2(PO4)3full cell is evaluated showing stable long cycling life. The heteroatoms dopinginduced dual defects strategy opens up a new way of metal phosphides for sodium storage.