Executive Summary : | This project aims to develop new Li-ion batteries (LIBs) with high energy and power density, specific capacity, and high performance for various energy storage and conversion applications. The materials used in LIBs, such as olivine phosphate and layered compounds, lack energy/power density, voltage range, and specific capacity, limiting their applications. The project will use first-principle calculations to study Co, Ni-doped lithium transition metal orthosilicates Li2MSiO4, LiMSO4F (M = Mn, Fe, and Ni) as electrodes for secondary, all-solid-state thin and cable type flexible LIBs. First-principles calculations will be employed for computational studies, allowing a deep understanding of structure-property co-relations and the evolution of electronic, thermal, mechanical, and electrochemical properties. Physical and structural characterization results will be correlated with computational results. Different high-performance battery prototypes will be developed for consumer and wearable electronics, with post-mortem analysis including degradation mechanism, dendrite growth, and solid electrolyte interface formation (SEI) of the cathode. |