Boron Substituted Na3V2(P1-xBxO4)(3) Cathode Materials with Enhanced Performance for Sodium-Ion Batteries

doi:10.1002/advs.201600112

QIBEBT-IR > 仿生与固态能源系统研究组

	Boron Substituted Na3V2(P1-xBxO4)(3) Cathode Materials with Enhanced Performance for Sodium-Ion Batteries
	Hu, Pu 1,2; Wang, Xiaofang 3,4; Wang, Tianshi 1; Chen, Lanli 3,4; Ma, Jun1 ; Kong, Qingyu 5; Shi, Siqi 2,3,4; Cui, Guanglei1
	2016-12-01
发表期刊	ADVANCED SCIENCE
卷号	3 期号:12
摘要	The 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.
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences ; Technology
DOI	10.1002/advs.201600112
关键词[WOS]	TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; ELECTROCHEMICAL PERFORMANCE ; LITHIUM-ION ; NA3V2(PO4)(2)F-3 CATHODE ; STRUCTURAL STABILITY ; X-RAY ; NA ; TEMPERATURE ; LIFEPO4
收录类别	SCI
语种	英语
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
项目资助者	National 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类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:000390399000003
引用统计
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/9192
专题	仿生与固态能源系统研究组
作者单位	1.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
推荐引用方式 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).