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Effect of Al-doping on lithium nickel oxides

Identifieur interne : 000914 ( Main/Exploration ); précédent : 000913; suivant : 000915

Effect of Al-doping on lithium nickel oxides

Auteurs : T. Amriou [Algérie, France] ; A. Sayede [Algérie, France] ; B. Khelifa [France] ; C. Mathieu [France] ; H. Aourag [Algérie, France]

Source :

RBID : Pascal:04-0349392

Descripteurs français

English descriptors

Abstract

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.


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Le document en format XML

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<title xml:lang="en" level="a">Effect of Al-doping on lithium nickel oxides</title>
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<country>France</country>
<placeName>
<region type="region" nuts="2">Hauts-de-France</region>
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<title level="j" type="main">Journal of power sources</title>
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<idno type="ISSN">0378-7753</idno>
<imprint>
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<textClass>
<keywords scheme="KwdEn" xml:lang="en">
<term>Aluminium</term>
<term>Doped materials</term>
<term>Electrochemical properties</term>
<term>Electronic structure</term>
<term>Intercalation compound</term>
<term>Lithium battery</term>
<term>Lithium oxide</term>
<term>Nickel oxide</term>
<term>Open circuit voltage</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr">
<term>Batterie lithium</term>
<term>Composé insertion</term>
<term>Nickel oxyde</term>
<term>Lithium oxyde</term>
<term>Matériau dopé</term>
<term>Structure électronique</term>
<term>Aluminium</term>
<term>Propriété électrochimique</term>
<term>Tension circuit ouvert</term>
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<term>Aluminium</term>
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<front>
<div type="abstract" xml:lang="en">The electronic structures of LiNiO
<sub>2</sub>
, LiAlO
<sub>2</sub>
and LiNi
<sub>0.5</sub>
Al
<sub>0.5</sub>
O
<sub>2</sub>
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 LiNiO
<sub>2</sub>
are discussed. An increase in the open circuit voltage is observed with Al doping in LiNi
<sub>0.5</sub>
Al
<sub>0.5</sub>
O
<sub>2</sub>
compound.</div>
</front>
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