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Effect of Al-doping on lithium nickel oxides |
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| Authors: | T Amriou A Sayede B Khelifa C Mathieu H Aourag |
| Affiliation: | a Computational Materials Science Laboratory, Physics Department, University of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria b Faculte Jean Perrin, Université d’artois, SP18 Rue Jean Souvraz, 62307, Lens cedex, France c LERMPS, Université de Belfort-Montbeliard, Site des Sevennans, 90010, Belfort, France |
| 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. |
| Keywords: | Author Keywords: Rechargeable batteries Transition-metal oxides Average intercalation voltage Linearized augmented plane wave First-principle’s calculation |
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