Work Package 3: Modelling and Simulation of the Electrode Interface

Lead Partner: University of Liverpool

Work Package Leader: Dr Gilberto Teobaldi

Objectives:

To gain insight into the solid electrolyte interphase (SEI) formation and transport properties on lithium metal and graphitic carbon anodes complemented from experimental data from WP4 and WP6

To access the atomic and electronic factors governing the SEI and surface-subsurface interfacial chemistry and dynamics for selected anode (Li4Ti5O12) and cathode (LiMn2O4) materials

To provide first principles elucidation of the SEI structure, chemistry and dynamics, also in the presence of metal-oxide coatings.

Partners Involved:

University of Liverpool	UK
Universita Degli Studi di Camerino	Italy
Centro de Investigacion Cooperativade Energias Alternativas Fundacion	Spain
Johnson Matthey PLC	UK
Centre National de la Recherche Scientifique	France