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ESR Project 1

Model development and validation for hybrid and organic thermoelectrics

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

Martijn Kemerink (Heidelberg)

Jan Anton Koster (Groningen)

Map EST Project 1


  • 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