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New Publication: The Structural Origin of Chiroptical Properties in Perovskite Nanocrystals

The authors investigate how chiral ligands attached to perovskite nanocrystal (PNC) surfaces structurally distort the perovskite lattice. Chiral electro-optical properties of the resulting PNCs are demonstrated through the fabrication of a circularly polarized light (CPL) detector with a discrimination of up to 14% between left- and right-handed CPL. Both experimental and electronic-struc- ture-based simulations are combined to provide insights into the interactions (both structural and electronic) between chiral organic ligands and PNCs. The major finding is a centro-asymmetric distortion of the surface lattice that penetrates up to five atomic unit cells deep into the PNCs, which is the likely cause of the chiral-optical properties. Spin-polarized transport through chiral- PNCs results from the chiral-induced spin selectivity effect and amplifies the discrimination between left and right-handed CPL as is experimentally demonstrated in the detectors.








In conclusion, we couple theoretical simulations to the experi­ mentally observed chiroptical response and photophysical properties of colloidal chiral CsPbBr3 PNC thin films to formally understand the chiral transfer mechanism. R­/S­MBA:Br chiral ligands transfer chirality into PNCs by distorting the five out­ ermost layers of surface octahedra, resulting in a symmetry breaking and slightly reduced bandgap. We find that chiral surface ligands increase the PLQE of PNCs by suppressing nonradiative recombination and facilitating radiative recombi­ nation. Additionally, we show that chiral PNCs can work as a CPL detector with detectivity of up to 14%. Our experimental and theoretical approach toward understanding the effects of chiral ligands on PNCs provides a path toward further spin­optoelectronics based on colloidal PNCs.

Read the full article at Advanced Functional Materials

Adv. Funct. Mater. 2022, 2200454




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