Optimisation of lithium batteries using pectins as an anode binder
This OPACPEC/Master’s 2 project will focus on understanding the nature and strength of the interactions between silicon, a promising and much-studied material for the negative electrode (anode) of lithium batteries, and pectin, a bio-sourced polymer binder that holds the electrode together. The idea of this molecular modeling project is to use a model pectin (a few motifs), and to study the interaction between this model and the surface functions of silicon. To this end, adsorption energies and electronic structures will be calculated using DFT (Density Functional Theory).
