Extended Data Fig. 4: Density functional theory simulations.
From: Distribution control enables efficient reduced-dimensional perovskite LEDs
a, TFPPO binding with the unsaturated lead dangling bonds at the perovskite edge through P=O:Pb and forming hydrogen bonds with the ammonium tails of the PEA organic cations (N-H…F) shows a binding energy of 1.88 eV. b, TFPPO with only P=O:Pb (no N-H…F) shows a binding energy of 1.23 eV.
