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Title:
An alpha-CrPO4-type NaV3(PO4)(3) anode for sodium-ion batteries with excellent cycling stability and the exploration of sodium storage behavior
Author: Wang, Xiaofang1,7; Hu, Pu2,5,6; Chen, Lanli1; Yao, Yan5,6; Kong, Qingyu3; Cui, Guanglei2; Shi, Siqi1,7; Chen, Liquan4
Source: JOURNAL OF MATERIALS CHEMISTRY A
Issued Date: 2017
Volume: 5, Issue:8, Pages:3839-3847
DOI: 10.1039/c6ta10862h
DOC Type: Article
English Abstract: A novel alpha-CrPO4-type vanadium-based orthophosphate NaV3(PO4)(3) was synthesized as a promising anode material for Na-ion batteries, which exhibits a high reversible capacity of 140 mA h g(-1) with the capacity retention about 98% after 100 cycles. Furthermore, the electrochemical reaction mechanism, structure evolution and ionic diffusion of NaV3(PO4)(3) during the sodiation process were surveyed by the combination of experiments and first-principles calculations. Two different Wyckoff sites (4b, Na2 and 4c, Na3) which can accommodate more sodium ions, as well as the corresponding Na insertion process were reported to understand the sodium storage mechanism in NaV3(PO4)(3). The 3d-electron distribution near the Fermi level for vanadium in different valence states and sites (4a and 8g) in NaxV3(PO4)(3) (x = 1, 2, 3) and the local electron transfer during the sodiation process were described to predict the transition of the electrochemical properties. The cooperative-transport mechanism dominates the Na diffusion in NaxV3(PO4)(3) (1 <= x <= 3) and the activation barrier for Na+ transport in Na1.125V3(PO4)(3) (0.30 eV) is much lower than that in NaV3(PO4)(3) (1.28 eV), suggesting the fast-ion transport characteristics during the sodiation process and the strong stability of Na at the 4e site.
WOS Headings: Science & Technology ; Physical Sciences ; Technology
WOS Subject: Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary
WOS Subject Extended: Chemistry ; Energy & Fuels ; Materials Science
WOS Keyword Plus: TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; NEGATIVE ELECTRODES ; NA3V2(PO4)(3) ; CHALLENGES ; NANOCOMPOSITE ; TEMPERATURE ; GERMANIUM ; GRAPHITE ; VOLTAGE
Indexed Type: SCI
Funder: National Natural Science Foundation of China(51622207 ; Shanghai Institute of Materials Genome from the Shanghai Municipal Science and Technology Commission(14DZ2261200) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDA09010105) ; 51372228 ; U1630134)
Language: 英语
WOS ID: WOS:000395309800012
Citation statistics:
Content Type: 期刊论文
URI: http://ir.qibebt.ac.cn/handle/337004/9319
Appears in Collections:仿生能源与储能系统团队_期刊论文

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description.institution: 1.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China
2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao Ind Energy Storage Res Inst, Qingdao 266101, Peoples R China
3.Soc & Civile Synchrotron SOLEIL, LOrme Merisiers, St Aubin BP 48, F-91192 Gif Sur Yvette, France
4.Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
5.Univ Houston, Dept Elect & Comp Engn, Houston, TX 77204 USA
6.Univ Houston, Mat Sci & Engn Program, Houston, TX 77204 USA
7.Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China

Recommended Citation:
Wang, Xiaofang,Hu, Pu,Chen, Lanli,et al. An alpha-CrPO4-type NaV3(PO4)(3) anode for sodium-ion batteries with excellent cycling stability and the exploration of sodium storage behavior[J]. JOURNAL OF MATERIALS CHEMISTRY A,2017,5(8):3839-3847.
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