Weak interactions in mixed symmetric and asymmetric self-assembled monolayers for perovskite solar cells: a classical molecular dynamic view

Key Points

• This research aims to understand the role of weak interactions in self-assembled monolayers within perovskite solar cells.
• Conducted classical molecular dynamics simulations to analyze interactions in SAMs.
• Investigated both symmetric and asymmetric configurations of SAMs.
• Identified significant differences in hole-transport efficiency across varied SAM structures.
• Demonstrated that specific interactions positively influence charge transport in PSCs.