An efficient descriptor model for designing materials for solar cells

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An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells materials, and in addition to the energy gap it includes the absorption spectrum (α(E)) of the material. The charge transport properties of the explored materials are modelled using the characteristic diffusion length (L d) determined for the respective family of compounds. The presented model surpasses the widely used Scharber model developed for bulk heterojunction solar cells. Using published experimental data, we show that the presented model is more accurate in predicting the achievable efficiencies. To model both excitonic and non-excitonic systems, two different sets of parameters are used to account for the different modes of operation. The analysis of the presented descriptor model clearly shows the benefit of including α(E) and L d in view of improved screening results.

Original languageEnglish
Article number15003
Journalnpj Computational Materials
Publication statusPublished - 25 Nov 2015


ASJC Scopus subject areas

  • Materials Science(all)
  • Computer Science Applications
  • Modelling and Simulation
  • Mechanics of Materials

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