Issue 27, 2024

Facet-specific ligand dynamics: scaling the descriptors of Cs2AgBiBr6 nanocrystals

Abstract

Facet control by primary amines can bolster the optoelectronic parameters of A2BIB′IIIX6 perovskite nanocrystals (NCs) with large indirect bandgaps. The 18-C amine competitively attaches to the (222) facet of Cs2AgBiBr6 (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.

Graphical abstract: Facet-specific ligand dynamics: scaling the descriptors of Cs2AgBiBr6 nanocrystals

Supplementary files

Article information

Article type
Communication
Submitted
18 Jan 2024
Accepted
28 Feb 2024
First published
29 Feb 2024

Chem. Commun., 2024,60, 3693-3696

Facet-specific ligand dynamics: scaling the descriptors of Cs2AgBiBr6 nanocrystals

A. Mondal, M. Ahuja, P. Johari and S. Bhattacharyya, Chem. Commun., 2024, 60, 3693 DOI: 10.1039/D4CC00270A

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