Towards next-generation electrochemical energy storage solutions, inorganic crystalline solid-state ionic conductors can play a major role in developing a safer and more energy dense battery.
Incubator 1 — Design and Discovery of Novel Solid-State Ionic Conductors — is a synergistic project based on continuous feedback between theory and experiment to accelerate the discovery of novel materials with improved ionic conductivity, wide electrochemical stability window, and favorable mechanical properties. Key contributions include the development of a mixed DFT method for computational screening with large structural databases (EPFL), expertise in first-principles methods and the development of neural-network techniques (IBM) for the theoretical characterization of diffusion and static properties as well as expertise in materials synthesis and characterization techniques including testing protocols for solid-state battery cells (PSI). Most of the computational contributions are available to the scientific community as AiiDA workflows.
The project is led by Teodoro Laino.