Molecular design for perovskite solar cells

Abstract

The molecular approach is an effective way to improve the optoelectronic performance and stability of perovskite solar cells. In this manuscript, we review the progress and design principles of the molecular compounds for perovskite solar cells. The molecular design strategies that consider the A-site cations, additive molecules, solvent molecules, and surface adsorbates are explained, followed by a discussion on the molecular design at different perovskite-related interfaces, including the perovskite/perovskite interface, the electron transporting layer/perovskite interface, and the hole transporting layer/perovskite interface. Subsequently, the molecular impacts on the charge transfer directions at the perovskite surface and the molecular engineering on the molecular-scale halide perovskites are elucidated. The machine learning methods are emphasized to globally optimize the molecular layers for the perovskite solar cells from the complicated multidimensional virtual design space. Last but not least, the molecular design protocols are summarized and the suggestions for the future research directions on the molecular design for the halide perovskite materials are provided. This manuscript highlights the effectiveness of the molecular design strategies to improve the optoelectronic performance and stabilities of the perovskite solar cells.

Polymer Boosts High Performance Perovskite Solar Cells: A Review

“…Therefore, polymer based molecular engineering may not always improve the performance of PSCs. [210][211][212] We should avoid the negative effects of polymers on PSCs through reasonable design. Here, we give recommendations for the three characteristic applications of the polymers mentioned above in PSCs.…”