Facet-specific ligand dynamics: scaling the descriptors of Cs 2 AgBiBr 6 nanocrystals.
Anamika MondalManuj AhujaPriya JohariSayan BhattacharyyaPublished in: Chemical communications (Cambridge, England) (2024)
Facet control by primary amines can bolster the optoelectronic parameters of A 2 B I B' III X 6 perovskite nanocrystals (NCs) with large indirect bandgaps. The 18-C amine competitively attaches to the (222) facet of Cs 2 AgBiBr 6 (CABB) NCs, 16-C and 14-C bind to (400) and (440), and 12-C binds to (400). The NCs with only the (400) facet decrease the bandgap and exciton binding energy by 0.26 eV and 15 meV, respectively.