Towards enhanced sodium storage by investigation of the Li ion doping and rearrangement mechanism in Na3V2(PO4)(3) for sodium ion batteries

doi:10.1039/c8ta00117k

	Towards enhanced sodium storage by investigation of the Li ion doping and rearrangement mechanism in Na3V2(PO4)(3) for sodium ion batteries
	Zheng, Qiong 2; Ni, Xiao 1,3; Lin, Le 1,3; Yi, Hongming 1,2; Han, Xiuwen 3; Li, Xianfeng 2,4; Bao, Xinhe 3; Zhang, Huamin 2,4
刊名	JOURNAL OF MATERIALS CHEMISTRY A
	2018-03-07
卷号	6 期号:9 页码:4209-4218
ISSN号	2050-7488
DOI	10.1039/c8ta00117k
文献子类	Article
英文摘要	Metal ion doping is an effective way for improving the intrinsic properties of Na3V2(PO4)(3). However, mechanistic exploration of metal ion doping in Na3V2(PO4)(3), which is essential for the design and optimization of metal ion doping, is indistinct. To achieve an in-depth understanding of the mechanism of metal ion doping, Li ion doped Na3-xLixV2(PO4)(3)/C (x = 0, 0.01, 0.05, 0.1, 0.5, 0.7 and 1.0) compounds are synthesized. By utilizing DFT, NMR and Rietveld methods, the mechanism of Li/Na ion doping and rearrangement in the Na sites and Na ion insertion/extraction during electrochemical cycles are explored and identified. It is found that during the synthesis process, Li ions are inclined to enter mainly the Na2 sites in Na3V2(PO4)(3) when the x value is low, but they will occupy the Na1 and Na2 sites simultaneously when x is high. Meanwhile, Li ions in the as-prepared Na3-xLixV2(PO4)(3) compounds are reversibly replaced by Na ions during the idle state, due to the very small energy difference of the exchange between Li and Na ions. Furthermore, it is confirmed that there are more than two Na ions inserted/extracted during the charge-discharge process, resulting in the final extra specific capacity.
WOS关键词	SOLID-STATE NMR ; X-RAY-DIFFRACTION ; HIGH-PERFORMANCE CATHODE ; AUGMENTED-WAVE METHOD ; ELECTROCHEMICAL PERFORMANCE ; ELECTRODE MATERIAL ; LOCAL-STRUCTURE ; DISCHARGE PRODUCTS ; PHASE-DIAGRAM ; NA-BATTERIES
WOS研究方向	Chemistry ; Energy & Fuels ; Materials Science
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000426704100045
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/168880]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Bao, Xinhe; Zhang, Huamin
作者单位	1.Univ Chinese Acad Sci, Beijing 100039, Peoples R China 2.Chinese Acad Sci, Div Energy Storage, Dalian Inst Chem Phys, Zhongshan Rd 457, Dalian 116023, Peoples R China 3.Chinese Acad Sci, State Key Lab Catalysis, Dalian Inst Chem Phys, Zhongshan Rd 457, Dalian 116023, Peoples R China 4.Collaborat Innovat Ctr Chem Energy Mat IChEM, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Zheng, Qiong,Ni, Xiao,Lin, Le,et al. Towards enhanced sodium storage by investigation of the Li ion doping and rearrangement mechanism in Na3V2(PO4)(3) for sodium ion batteries[J]. JOURNAL OF MATERIALS CHEMISTRY A,2018,6(9):4209-4218.
APA	Zheng, Qiong.,Ni, Xiao.,Lin, Le.,Yi, Hongming.,Han, Xiuwen.,...&Zhang, Huamin.(2018).Towards enhanced sodium storage by investigation of the Li ion doping and rearrangement mechanism in Na3V2(PO4)(3) for sodium ion batteries.JOURNAL OF MATERIALS CHEMISTRY A,6(9),4209-4218.
MLA	Zheng, Qiong,et al."Towards enhanced sodium storage by investigation of the Li ion doping and rearrangement mechanism in Na3V2(PO4)(3) for sodium ion batteries".JOURNAL OF MATERIALS CHEMISTRY A 6.9(2018):4209-4218.