Model development and validation for hybrid and organic thermoelectrics
Fellow:
Aditya Dash (ESR 1)
Home Institution:
Heidelberg University, Germany
1st Secondment:
University of Groningen, Netherlands
2nd Secondment:
Centre National de la Recherche Scientifique, Institut Charles Sadron, France
Supervisor:
Martijn Kemerink (Heidelberg)
Co-Supervisor:
Jan Anton Koster (Groningen)
Objectives
- Develop kinetic Monte Carlo (kMC) models for the electronic charge and heat conductivity and the thermopower of doped, heterogeneous materials to provide insight in the role of (a) morphology, including alignment, aggregation and tie-chains (in all-organic systems) and guest size and dimensionality (in hybrids), (b) energetics and (c) doping
- Compare and calibrate these models to available data from WP2
Expected results
- Design rules for hybrid thermoelectrics w.r.t. energetics, loading, morphology, doping level
- Effective doping method(s) for hybrid materials
- Novel, high-performance hybrid thermoelectric materials
Skills acquired
- Detailed insight in transport physics in disordered media
- Converting complex problems into models
- Structured programming
- Interdisciplinary communication