Effect of Al-doping on lithium nickel oxides

被引：26
作者：
Amriou, T [1 ]
Sayede, A
Khelifa, B
Mathieu, C
Aourag, H
机构：
[1] Univ Sidi Bel Abbes, Dept Phys, Computat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria
[2] Univ Artois, Fac Jean Perrin, F-62307 Lens, France
[3] Univ Belfort Montbeliard, LERMPS, F-90010 Belfort, France
来源：
JOURNAL OF POWER SOURCES | 2004年 / 130卷 / 1-2期
关键词：
rechargeable batteries; transition-metal oxides; average intercalation voltage; linearized augmented plane wave; first-principle's calculation;
D O I：
10.1016/j.jpowsour.2003.11.063
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：
The electronic structures of LiNiO2, LiAlO2 and LiNi0.5Al0.5O2 are investigated using density-functional theory (DFT) in the local-density approximation (LDA). The effect of lithium intercalation and the influence of aluminium doping on the structure and electrochemical properties of LiNiO2 are discussed. An increase in the open circuit voltage is observed with Al doping in LiNi0.5Al0.5O2 compound. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：213 / 220
页数：8
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