Doping LiMnPO4 with Cobalt and Nickel: A First Principle Study

A density functional theory (DFT) study has been carried out on transition metal phosphates with olivine structure and formula LiMPO4 (M = Fe, Mn, Co, Ni) to assess their potential as cathode materials in rechargeable Li-ion batteries based on their chemical and structural stability and high theoret...

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Bibliographic Details
Main Authors: Mauro Francesco Sgroi, Roberto Lazzaroni, David Beljonne, Daniele Pullini
Format: Article
Language:English
Published: MDPI AG 2017-04-01
Series:Batteries
Subjects:
Online Access:http://www.mdpi.com/2313-0105/3/2/11