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Boron Substituted Na3V2(P1-xBxO4)(3) Cathode Materials with Enhanced Performance for Sodium-Ion Batteries
Hu, Pu1,2; Wang, Xiaofang3,4; Wang, Tianshi1; Chen, Lanli3,4; Ma, Jun1; Kong, Qingyu5; Shi, Siqi2,3,4; Cui, Guanglei1
2016-12-01
Source PublicationADVANCED SCIENCE
Volume3Issue:12
AbstractThe development of excellent performance of Na-ion batteries remains great challenge owing to the poor stability and sluggish kinetics of cathode materials. Herein, B substituted Na3V2P3-xBxO12 (0 <= x <= 1) as stable cathode materials for Na-ion battery is presented. A combined experimental and theoretical investigations on Na3V2P3-xBxO12 (0 <= x <= 1) are undertaken to reveal the evolution of crystal and electronic structures and Na storage properties associated with various concentration of B. X-ray diffraction results indicate that the crystal structure of Na3V2P3-xBxO12 (0 <= x <= 1/3) consisted of rhombohedral Na3V2(PO4)(3) with tiny shrinkage of crystal lattice. X-ray absorption spectra and the calculated crystal structures all suggest that the detailed local structural distortion of substituted materials originates from the slight reduction of V-O distances. Na3V2P3-1/6B1/6O12 significantly enhances the structural stability and electrochemical performance, giving remarkable enhanced capacity of 100 and 70 mAh g(-1) when the C-rate increases to 5 C and 10 C. Spin-polarized density functional theory (DFT) calculation reveals that, as compared with the pristine Na3V2(PO4)(3), the superior electrochemical performance of the substituted materials can be attributed to the emergence of new boundary states near the band gap, lower Na+ diffusion energy barriers, and higher structure stability.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1002/advs.201600112
WOS KeywordTOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; ELECTROCHEMICAL PERFORMANCE ; LITHIUM-ION ; NA3V2(PO4)(2)F-3 CATHODE ; STRUCTURAL STABILITY ; X-RAY ; NA ; TEMPERATURE ; LIFEPO4
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
Funding OrganizationNational Natural Science Foundation of China program(51502319 ; Key Technology Research Projects of Qingdao(13-CX-10) ; Shanghai Institute of Materials Genome from the Shanghai Municipal Science and Technology Commission(14DZ2261200) ; Shanghai Pujiang Program(14PJ1403900) ; DOE Office of Science(DE-AC02-06CH11357) ; 51372228)
WOS SubjectChemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000390399000003
Citation statistics
Document Type期刊论文
Identifierhttp://ir.qibebt.ac.cn/handle/337004/9192
Collection仿生与固态能源系统研究组
Affiliation1.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao Ind Energy Storage Res Inst, Qingdao 266101, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China
4.Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China
5.Soc Civile Synchrotron SOLEIL, St Aubin BP 48, F-91192 Gif Sur Yvette, France
Recommended Citation
GB/T 7714
Hu, Pu,Wang, Xiaofang,Wang, Tianshi,et al. Boron Substituted Na3V2(P1-xBxO4)(3) Cathode Materials with Enhanced Performance for Sodium-Ion Batteries[J]. ADVANCED SCIENCE,2016,3(12).
APA Hu, Pu.,Wang, Xiaofang.,Wang, Tianshi.,Chen, Lanli.,Ma, Jun.,...&Cui, Guanglei.(2016).Boron Substituted Na3V2(P1-xBxO4)(3) Cathode Materials with Enhanced Performance for Sodium-Ion Batteries.ADVANCED SCIENCE,3(12).
MLA Hu, Pu,et al."Boron Substituted Na3V2(P1-xBxO4)(3) Cathode Materials with Enhanced Performance for Sodium-Ion Batteries".ADVANCED SCIENCE 3.12(2016).
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