posted on 2022-03-15, 18:09authored bySwati Khurana, Md. Samim Hassan, Priyesh Yadav, Dibyajyoti Ghosh, Sameer Sapra
Mixed
dimensional nanohybrids (MDNHs) between zero-dimensional
(0D) perovskites and two-dimensional (2D) II–VI semiconductors
hold great potential for photonic device applications. An in-depth
study to understand the shuttling of charge carriers is carried out
utilizing bifunctional ligands such as 4-aminothiophenol (4-ATP), p-aminobenzoic acid, and 6-amino-2-naphthoic acid in the
synthesis of MDNHs of CsPbBr3 nanocrystals (NCs) and CdSe/CdS/ZnS
core/shell/shell (CSS) nanoplatelets (NPLs). These MDNHs form donor–bridge–acceptor
systems, where the electronic interaction is greatly influenced by
the nature of ligands. The smaller size and stronger binding affinity
of 4-ATP to CSS NPLs lead to a faster rate of charge transfer as compared
to other linkers. Electronic structure calculations under the framework
of density functional theory (DFT) confirms that in 4-ATP capped CSS
NPLs, stronger electronic overlap occurs between CSS NPLs and 4-ATP
at the valence band maxima (VBM). Furthermore, Poisson distribution
modeling proposes that in 4-ATP linked MDNHs, the number of CSS NPLs
around CsPbBr3 NCs is highest.