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.

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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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