In the laboratory of sustainable energy we develop novel materials that are used as anode and cathode for lithium-ion, lithium-sulfur batteries. The aim is to enhance the charge/discharge specific capacity, cyclability and power of lithium-ion and/or lithium-sulfur batteries. In order to obtain these novel materials, we use different methods of synthesis (sol-gel, precipitation, ceramic, ball milled, etc.) and several treatments. These materials are used afterwards as electrodes in coin-cell and T-cell to study their electrochemical performance with the goal of getting high power electrodes. This allows us to obtain a structure/properties ratio based on which we can re-design the strategy of synthesis.
On the other hand, we use different computational methods (DFT, MC, KMC, MD, etc.) in order to get deeper insight on the microscopic properties and events that occur at surface and bulk scale of the experimentally studied materials (microscopic interactions, density of energies, density of states, diffusion and reaction mechanism, etc.)
This way, in our laboratory we use complementary experimental and theoretical tools in order to develop novel materials for lithium batteries.
The aforementioned computational tools are also employed to study other systems,
such as surface processes that occur in the anodes or cathodes of fuel cells.