Ion‐Charged Dielectric Nanolayers for Enhanced Surface Passivation in High Efficiency Photovoltaic Devices

Abstract The power conversion efficiency of solar cells is strongly impacted by an unwanted loss of charge carriers occurring at semiconductor surfaces and interfaces. Here the use of ion‐charged oxide nanolayers to enhance the passivation of silicon surfaces via the field effect mechanism is reported. The first report of enhanced passivation from rubidium and cesium ion‐charged oxide nanolayers is provided. The charge state and formation energy of ion‐charged silicon dioxide are calculated from first principles. Ion embedding is demonstrated and exploited to control the interface population of carriers and minimize electron‐hole pair recombination. The passivation quality directly improves with charge concentration, yet excess ions can produce detrimental interface states. An optimal ionic charge concentration of ≈1.5 × 10¹² q cm⁻² is deduced, and a recombination velocity and current density as low as 2.8 cm s⁻¹ and 7.8 fA cm⁻² are achieved at the Si‐SiO₂ interface. Maximized charge is shown to provide efficiency improvements as high as 0.7% absolute. This work provides a unique route to enhance passivation without compromising the film synthesis, thus retaining the antireflection and hydrogenation film properties. As such, ion‐charged dielectrics provide complementary paths for surface and interface optimization in future single‐junction and tandem solar cells.