Structural Transformation During Li/Na Insertion and Theoretical Cyclic Voltammetry of the δ-NH4V4O10 Electrode: A first-principles study
A double layer δ-NH4V4O10, due to its high energy storage capacity and excellent rate capability, is a very promising cathode material for Li-ion and Na-ion batteries for large-scale renewable energy storage in transportation and smart grids. While it possesses better stability, and higher ionic and electronic conductivity than the most widely explored V2O5, the mechanisms of its cyclability are yet to be understood.
Storage Options and Materials for Renewable Applications
A presentation on storage options and materials for renewable energy applications
Comparative analysis of electrochemical properties of LiMO2, LiMSiO4 and LiMPO4 (M=Fe, Co and Mn): A first principles study
Polyanion based cathode materials are most promising candidates for lithium ion batteries due to low cost, safety, environmental friendliness, etc. We performed first principles based DFT calculations to understand the stability, charge transfer mechanism and electrochemical performance of olivine phosphates, silicates and its comparison with the transition metal layered oxides based cathode materials. We have computed the changes in oxidation states using Bader method of topological analysis and charge re-distribution by analysis of partial density of electronic states.