Fig. 1: SAM molecular structures and theoretical simulations.
From: Flexibility meets rigidity: a self-assembled monolayer materials strategy for perovskite solar cells
a Overall configuration distribution of SAM molecule. b The Chemical structure of SAM molecules. c The final stable configuration of SAM molecules on ITO surface after 10 ps AIMD simulation. d Schematic diagram of ITO/SAM/PVK interface interaction derived from the final stable configuration.
