A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries

被引：19

作者：

Sun, Meiling ^{[1
,2
]}

Rousse, Gwenaelle ^{[1
,2
,3
]}

Saubanere, Matthieu ^{[3
,4
,5
]}

Doublet, Marie-Liesse ^{[3
,4
,5
]}

Dalla Corte, Daniel ^{[1
]}

Tarascon, Jean-Marie ^{[1
,2
,3
]}

机构：

[1] Coll France, UMR Chim Solide & Energie 8260, 11 Pl Marcelin Berthelot, F-75231 Paris 05, France

[2] Univ Paris 06, Sorbonne Univ, 4 Pl Jussieu, F-75005 Paris, France

[3] FR CNRS 3459, RS2E, 33 Rue St Leu, F-80039 Amiens, France

[4] CNRS, ICGM Inst Charles Gerhardt, Pl Eugene Bataillon, F-34095 Montpellier, France

[5] Univ Montpellier, Pl Eugene Bataillon, F-34095 Montpellier, France

来源：

CHEMISTRY OF MATERIALS | 2016年 / 28卷 / 18期

关键词：

PLANE-WAVE; ELECTROCHEMICAL PROPERTIES; LITHIUM; POLYMERIZATION; SPECTRA; SYSTEM; COHP;

D O I：

10.1021/acs.chemmater.6b02759

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We herein report the synthesis, crystal structure, and electrochemical performances of a new Li-based vanadium oxysulfate phase, Li2VO(SO4)(2), whose structure is built on vanadyl-containing VQ(5) square-based pyramids and SO4 groups linked by vertices to form layers. Li2VO(SO4)(2) presents a redox activity at 4.7 V vs Li+/Li-0 with a reversible capacity of 50 mA.h/g,, while the chemically similar but structurally different Na2VO(SO4)(2) delivers a capacity of 60 mA h/g at 4.5 V vs Na+/Na-0. Density functional theory calculations are also, performed to rationalize our findings in terms of redox activity and phase stability.

引用

页码：6637 / 6643

页数：7

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