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

Anamika Mondal; Manuj Ahuja; Priya Johari; Sayan Bhattacharyya

doi:10.1039/D4CC00270A

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

Anamika Mondal,^a Manuj Ahuja,^b Priya Johari

*^b and Sayan Bhattacharyya

*^a

Author affiliations

* Corresponding authors

^a Department of Chemical Sciences and Centre for Advanced Functional Materials, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur-741246, India
E-mail: sayanb@iiserkol.ac.in

^b Department of Physics, School of Natural Sciences, Shiv Nadar Institution of Eminence, Gautam Buddha Nagar, Greater Noida, UP 201314, India
E-mail: priya.johari@snu.edu.in

Abstract

Facet control by primary amines can bolster the optoelectronic parameters of A₂B^IB′^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.

This article is part of the themed collection: 2024 CRSI Medal Winners Collection

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Article information

DOI: https://doi.org/10.1039/D4CC00270A
Article type: Communication
Submitted: 18 jan. 2024
Accepted: 28 feb. 2024
First published: 29 feb. 2024

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

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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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