Characterizing Structure, Microstructure, Morphology and Self-Assembly of LHP nanocrystals through Reciprocal Space Total Scattering Methods
Federica Bertolotti a, Anna Vivani a, Maryna I. Bodnarchuk b c, Maksym V. Kovalenko b c, Norberto Masciocchi a, Antonietta Guagliardi d
a University of Insubria, Department of Science and High Technology, Italy
b Department of Chemistry and Applied Biosciences, ETH Zürich, Zurich, Switzerland, Empa-Swiss Federal Laboratories for Materials Science and Technology, Zurich, Switzerland
c Laboratory for Thin Films and Photovoltaics, Empa − Swiss Federal Laboratories for Materials Science and Technology, Ueberlandstrasse, 129, Dübendorf, Switzerland
d Istituto di Cristallografia - Consiglio Nazionale delle Ricerche (IC-CNR), Italy, Via Giovanni Amendola, 122, Bari, Italy
Materials for Sustainable Development Conference (MATSUS)
Proceedings of nanoGe Spring Meeting 2022 (NSM22)
#PerNC22. Colloidal Metal Halide Perovskite Nanocrystals: From Synthesis to Applications
Online, Spain, 2022 March 7th - 11th
Organizers: Maksym Kovalenko, Maryna Bodnarchuk and Osman Bakr
Invited Speaker, Federica Bertolotti, presentation 120
DOI: https://doi.org/10.29363/nanoge.nsm.2022.120
Publication date: 7th February 2022

Lead halide perovskites (LHP) are long-known crystalline materials with ABX3 general formula (where A=Cs+, MA:CH3NH3+ or FA:CH(NH2)2+, B=Pb2+ and X=Cl-,Br-,I-), characterized by a three-dimensional [PbX6]4- framework and a large A cation residing the cuboctahedra cavities. These materials in form of nanocrystals (NCs) are considered ideal candidates to be integrated in television displays and LEDs.[1] Due to the dynamic nature of the perovskite lattice, preventing the charge carriers from trapping, LHP NCs are highly tolerant to structural defects and surface states, which are considered benign with respect to their electronic and optical properties.[2]

The flexible nature of the perovskite framework, very prone to structural defectiveness, coupled with the reduced size of crystalline domains, makes these materials unsuitable for conventional crystallographic methods. At this purpose total scattering techniques based on the Debye Scattering Equation (DSE), have been established as effective methods for characterizing nanoscale materials and taking into account size-induced structural defects, emerging upon downsizing.[3] Through the DSE-based method developed by some of us,[4] starting from real space atomistic models, structural and microstructural information on NCs can be simultaneously derived within a unified approach, with all the well-known advantages associated to the use of reciprocal space methods.

In this talk, experimental and modelling aspects, related to the DSE approach and applied to provide atomic-to-nanometer scale insights on key nanoscale features of LHP NCs, will be presented.

A broad spectrum of structural and morphological features of LHP NCs, unveiled through a synergic combination of reciprocal space methods based on the DSE, will be analysed, from their peculiar defectiveness,[5] to faceting and surface termination,[6] to the formation of self-organized superstructures.

This work has been partially supported by Fondazione Cariplo, Grant n. 2020-4382 (CubaGREEN).

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