Towards an Estimation of Power Conversion Efficiencies from Surface Sputtering Parameters

The advent of metal halide perovskites has revolutionised photovoltaic industries owing to their excellent optoelectronic properties and high power conversion efficiency (PCE) of about 25.5%. In this study, Monte Carlo simulation of ion-beam surface sputtering was employed to study sputtering characteristics, such as ion range and sputter yield, of lead and tin perovskites along with other potential materials. This was done to explore the possibility of estimating the PCE of these materials from their surface sputtering characteristics. Since surface sputtering simulations using MC methods are relatively faster and much less computationally expensive than the current standard computational method of determination of PCE using quantum theory and its associated dynamical evolution equations. Results and comparison of the sputtering characteristics for these materials (lead and lead-substituted perovskites inclusive) are presented. For Pb and Sn perovskites, the results revealed similar sputtering characteristics of linear projection ion range with about 78° ion incidence exhibiting maximum sputter yield. The results also showed a correlation between sputter characteristics and PCE.