Phase 1 (December 2020)
  • Programs and scripts for parallel distribution of DFT high throughput calculations
  • Post processing of the DFT calculations (band structures, absorption spectra)
  • Synthesis of perovskite mixtures

Results (phase 1) Phase I

Phase 2 (December 2021)
  • Investigation of perovskite compound stability
  • Physical properties of mixed-cation mixed-halogen perovskites
  • Implementation of artificial neural networks
  • Synthesis of perovskite compounds
  • Structural, morphological and chemical characterizations

Results (phase 2) Phase II

Phase 3 (October 2022)
  • Point-defect influence on the electronic properties
  • Training, validation and testing the artificial neural networks
  • List of selected perovskite compounds
  • Electronic properties of selected compounds
  • Fabrication of perovskite solar cells
  • Evaluation of solar cells PCE and stability

Results (phase 3) Phase III

Check out our latest publications here !