Fig. 3: Theoretical investigation of ligands-NPLs interactions.
From: Efficient deep-blue LEDs based on colloidal CsPbBr3 nanoplatelets meeting the Rec.2020 standard
Adsorption models of CsPbBr3 NPLs capped with a OA, b OAm, and c S-TBP ligands. Differential charge density distributions of NPLs capped with d OA, e OAm, and f S-TBP. g Comparison of adsorption energies for different ligands on NPL surfaces. h Bader charge analysis showing charge transfer from ligands to NPLs. i Electron localization function maps of NPLs passivated with different ligands
