Enhanced Photocurrent owing to Shuttling of Charge Carriers across 4-Aminothiophenol Functionalized MoSe2-CsPbBr3 Nanohybrids.

Mixed-dimensional van der Waals nanohybrids (MvNHs) of two-dimensional transition metal dichalcogenides (TMDs) and zero-dimensional perovskite are highly promising candidates for high performance photonic device applications. However, the growth of perovskite over the surface of TMDs has been a challenging task due to the distinguishable surface chemistry of these two different classes of materials. We demonstrate here a synthetic route for the design of MoSe2-CsPbBr3 MvNHs using a bifunctional ligand i.e. 4-aminothiophenol. Close contact between these two materials is established via a bridge that leads to the formation of a donor-bridge-acceptor system. The presence of small conjugated ligand facilitates faster charge diffusion across MoSe2-CsPbBr3 interfaces. The density functional theory calculations confirm the Type-II band alignment of the constituents within the MvNHs. The MoSe2-CsPbBr3 nanohybrids show much higher photocurrent (~2 x 〖10〗^4-fold photo-to-dark current ratio) as compared to both pure CsPbBr3 nanocrystals and pristine MoSe2 nanosheets owing to the synergistic effect of pronounced light-matter interaction followed by efficient charge separation and transportation. This study suggests the use of a bifunctional ligand to construct a nanohybrid system to tune the optoelectronic properties for potential applications in photovoltaic devices.