(Opto-)Electronic materials by design

This line of research uses "materials by design" approaches to:

  1. Improve the fundamental understanding of the relation between atomic structure and (opto-)electronic properties of materials.
  2. Leverage the created knowledge to design materials with (opto-)electronic properties optimized for ICT and energy applications, such as next-generation photovoltaics and thermoelectric power generators.
  3. Assess the performance of devices incorporating the materials developed, in close collaboration with device specialists from other lines of research.

(Opto-)electronic material properties are studied by ab-initio and Density-Functional-Theory methods, combined with the Boltzmann-Transport-Equation formalism to obtain electronic and thermoelectric transport properties. Structure-property relations are interpreted by (almost-)analytical semi-empirical models (e.g., Tight-Binding-Method), to enable predictive material design and tailor (opto-)electronic properties to the application of interest.

Among these activities, the project "PhANTOM: Empowering Photovoltaics with Intermediate-Band Chalogeniges: From Atoms to New Tailored Optoelectronic Materials" (https://phantompv.polito.it/) has been awarded the "Seal of Excellence" by the European Commission and is being funded by the Italian Ministry of University and Research through the call "Young Researchers - Seal of Excellence".


Erc Sector:

  • PE3_4 Electronic properties of materials, surfaces, interfaces, nanostructures, etc.


  • Photoelectricity
  • Thermoelectricity