CHEMICAL ENERGY STORAGE FROM FIRST PRINCIPLES
WG1 members: Javier Carrasco, Nebil Ayape, Oleksandr Bondarchuk
The activity aims at understanding important phenomena in surface- materials- and nano-science in the power storage field. Using concepts from quantum mechanics, solid state physics, and statistical mechanics, we apply and develop methods and computer simulations to study processes of relevance to energy materials – such as the properties of ion insertion and extraction in electrodes and chemical reactions at surfaces. Rechargeable batteries and fuel cells are major focuses of our work.