Thermodynamics and defect chemistry of substitutional and interstitial cation doping in layered α-V2O5

被引：17
作者：
McColl, Kit [1 ]
Johnson, Ian [1 ]
Cora, Furio [1 ]
机构：
[1] UCL, Dept Chem, Christopher Ingold Bldg,20 Gordon St, London WC1H 0AJ, England
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2018年 / 20卷 / 22期
基金：
英国工程与自然科学研究理事会;
关键词：
SN-DOPED V2O5; CATHODE MATERIALS; VANADIUM PENTOXIDE; LITHIUM; INTERCALATION; BATTERIES; OXIDES;
D O I：
10.1039/c8cp02187b
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：
A systematic study of the location and energetics of cation dopants in alpha-V2O5 has been conducted using pair-potential methods, supplemented by first-principles calculations. The consequences of doping on intrinsic defect equilibria have been discussed and the effects of selected dopants on Li+ and Mg2+ diffusion energy barriers have been investigated.
引用
收藏
页码：15002 / 15006
页数：5
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