Fig. 1 | Nature Communications

Fig. 1

From: Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

Fig. 1

Lead-free HOIPs design framework. The material design framework combined with ML and DFT to efficiently search for stable Pb-free HOIPs with proper bandgap. The blue boxes represent the material screening process based on the ML algorithm generated from historical HOIP data. Then electronic properties and stability evaluation of these selected candidates are further calculated using DFT, which are shown in the green boxes