The session aims to correlate computer modelling and experimental characterisation, in application to the increasingly important area of energy materials. Two thematic sub-areas are first addressed: solar cells and batteries, and applications of both physics-based and data-based modelling approaches are considered. Discussion will be directed so as to identify key research problems relevant to the modelling of solar cells, taking into account characterisation data for organic semiconductor materials. Further, industrial problems relevant to the modelling of Li-ion batteries will be discussed, as exemplified by the modelling-based detection of material defects in graphene anodes or separators.
Following the impulse talks, broader discussions and collaborations within the EMMC are envisaged to follow. Expertise in multi-scale multi-physics modelling of energy materials is specifically solicited as well as joint efforts for the development of Open Platform tools and examples, for teaching and public communications on the subject. Collaborations are also sought with the sister society, EMCC, facilitating a MODA of each modelling example to be linked to its corresponding CHADA and characterisation results.
The main objective of this session is to encourage new efforts of the EMMC community towards the modelling of energy materials. Specific collaborations are sought in:
Development of Li-ion Battery Models from Electro-impedance Spectroscopy Data
by Ferry Kienberger (Keysight Research Labs, AT)
Application of Modelling Tools for the Electrical Characterisation of Organic Semiconductors
by Olivier Douheret (MateriaNova, BE)
Joint application of EM FEM and Data-based Modelling for Detection of Small Defect Structures in Batteries
by Georg Gramse (Johannes Kepler University, AT)
Modelling of energy materials and electrical test-fixtures: developments and Open Platform implementation linking MODAs and CHADAs
by Marzena Olszewska-Placha (QWED, PL)
Małgorzata Celuch (QWED, PL)