Construction of an Iodine Diffusion Barrier Using Network Structure Silicone Resin for Stable Perovskite Solar Cells

Long-term stability of organic-inorganic hybrid perovskite solar cells (PSCs) is inhibited by ion diffusion. Herein, we introduce a thermally stable and hydrophobic silicone resin layer with a network structure as an interfacial layer between the perovskite and the hole-transporting layer (HTL). Experimental and theoretical investigations confirm that the small Si-O-Si unit in the network forms both Si-I and Pb-O bonds with the perovskite surface, which physically and chemically inhibit the diffusion and self-release of iodine. Besides, the silicone resin layer suppresses the thermal crystallization of spiro-OMeTAD and optimizes the interfacial energy level alignment for hole extraction. The power conversion efficiency (PCE) of a perovskite solar cell with a silicone resin layer is improved to 21.11%. The device maintains more than 90.1% of its original PCE after 1200 h under 85 °C thermal stress, 99.6% after 2000 h under RH ∼55 ± 5%, and 83% of its original PCE after light soaking in air for 1037 h.