First-Principles Study of the Structural Stability and Dynamic Properties of Li2MSiO4 (M = Mn, Co, Ni) Polymorphs

First-Principles Study of the Structural Stability and Dynamic Properties of Li2MSiO4 (M = Mn, Co, Ni) Polymorphs

In recent years, the scientific community has shown an increasing interest in regards to the investigation of novel materials for the intercalation of lithium atoms, suitable for application as cathodes in the new generations of Li-ion batteries. Within this framework, we have computed the relative...

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Bibliographic Details
Main Authors: Ponniah Vajeeston, Federico Bianchini, Helmer Fjellvåg
Format: Article
Language:English
Published: MDPI AG 2019-01-01
Series:Energies
Subjects:
cathode materials
Li ion battery
structural stability
mechanical stability
DFT study
relative stability
electronic structure
transport properties
Online Access:http://www.mdpi.com/1996-1073/12/2/224

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