Anagrafe della ricerca

In line with Battery2030+ Large Research Initiative [1, 2], BIONIC proposal aims to study green and innovative binders also including self-healing (SH) functionalities for next generation Li ion batteries. Batteries with very high energy densities, being at the same time inherently reliable and safe, will allow electric vehicles to travel longer distances and open to a multitude of future applications needed for the energy transition. While the three R principle (Reduce, Reuse, and Recycle) of a circular economy will be the guiding principle for future technology development, smart battery functionalities will revolutionize both the performance and safety of battery systems. Among the smart functionalities that should be considered, the use of self-healing binders together with nanostructured anode particles will result in batteries with a longer lifetime, higher capacity and safety. The development of self-healing and self-adapting materials will take the battery lifetime and performance to new levels. The project will focus on the optimal design and realization of new eco-friendly low-cost polymer binders for battery anodes. The project aims at the following main objectives: 1) computational study of different self-healing binders leading to an in-deep understanding of the structural and chemical mechanisms involved in the self-healing process; 2) theoretical and experimental comparison of the relevant properties of different binders; 3) identification of binder modifications that could lead to a better performance; 4) Test and characterization of the resulting electrodes and cells; 5) test of the predictive capability of the simulations. The computational scheme is based on a new multi-scale protocol including studies of anode charge and discharge simulations with conceptually different binders using classical molecular dynamics and Reax-FF force fields followed by a DFT refinement of the lowest energy structures. The calculated properties (stability, adhesion to anode surfaces, ionic diffusion, rheological properties) will be compared to the experimental results of physicochemical analysis (adhesion and cohesion tests, rheological tests, scanning electron microscopy, different kind of spectroscopies, thermogravimetric and differential calorimetry analyses, etc. ), and electrochemical characterization (cyclic voltammetry, galvanostatic charge/discharge cycles, impedance spectroscopy) of the binder and of the electrode. The knowledge acquired in this project can be transferred to other types of battery electrodes and will impact the Italian companies in the sector, already established and under reorganization, to become leaders in the field of smart batteries. This project will be pivotal in the creation of an Italian leadership in the EU research connected to the Battery 2030plus framework and the green energy future actions.