The Structural Origin of Chiroptical Properties in Perovskite Nanocrystals with Chiral Organic Ligands

Kim, Young‐Hoon; Song, Ruyi; Hao, Ji; Zhai, Yaxin; Yan, Liang; Moot, Taylor; Palmstrom, Axel F.; Brunecky, Roman; You, Wei; Berry, Joseph J.; Blackburn, Jeffrey L.; Beard, Matthew C.; Blum, Volker; Luther, Joseph M.

doi:10.1002/adfm.202200454

Title: The Structural Origin of Chiroptical Properties in Perovskite Nanocrystals with Chiral Organic Ligands

Journal Article · 16 March 2022 · Advanced Functional Materials

DOI: https://doi.org/10.1002/adfm.202200454 · OSTI ID:1855510

Kim, Young‐Hoon ^[1];

^[2];

^[3];

^[3]; Yan, Liang ^[4];

^[3];

^[3]; You, Wei ^[4];

^[3];

^[5];

^[3]

National Renewable Energy Laboratory Golden CO 80401 USA, Department of Energy Engineering Hanyang University Seoul 04763 Republic of Korea
Department of Chemistry Duke University Durham NC 27708 USA
National Renewable Energy Laboratory Golden CO 80401 USA
Department of Chemistry University of North Carolina at Chapel Hill Chapel Hill NC 27599 USA
Department of Chemistry Thomas Lord Department of Mechanical Engineering and Material Science Duke University Durham NC 27708 USA

Abstract 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‐structure‐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.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: National Research Foundation of Korea (NRF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1855510

Report Number(s):: NREL/JA-5900-81043; 2200454

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 25 Vol. 32; ISSN 1616-301X

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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