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Title: Structure and surface properties of size-tuneable CsPbBr₃ nanocrystals
Authors: Hooper, Thomas J. N.
Fang, Yanan
Brown, Alasdair A. M.
Pu, Suan Hui
White, Timothy John
Keywords: Engineering::Materials
Issue Date: 2021
Source: Hooper, T. J. N., Fang, Y., Brown, A. A. M., Pu, S. H. & White, T. J. (2021). Structure and surface properties of size-tuneable CsPbBr₃ nanocrystals. Nanoscale, 13(37), 15770-15780.
Project: MOE2019-T2-2-032 
Journal: Nanoscale 
Abstract: This investigation has characterised the structure and surface chemistry of CsPbBr3 nanocrystals with controlled diameters between 6.4 to 12.8 nm. The nanocrystals were investigated via a thorough 133Cs solid state NMR and nuclear relaxation study, identifying and mapping radially-increasing nanoscale disorder. This work has formalised 133Cs NMR as a highly sensitive probe of nanocrystal size, which can conveniently analyse nanocrystals in solid forms, as they would be utilised in optoelectronic devices. A combined multinuclear solid state NMR and XPS approach, including 133Cs-1H heteronuclear correlation 2D (HETCOR) NMR, was utilised to study the nanocrystal surface and ligands, demonstrating that the surface is Cs-Br rich with vacancies passivated by didodecyldimethylammonium bromide (DDAB) ligands. Furthermore, it is shown that a negligible amount of phosphonate ligands remain on the powder nanocrystal surface, despite the key role of octylphosphonic acid (OPA) in controlling the colloidal nanocrystal growth. The CsPbBr3 NCs were shown to be structurally stable under ambient conditions for up to 6 months, albeit with some particle agglomeration.
ISSN: 2040-3364
DOI: 10.1039/d1nr04602k
Schools: School of Materials Science and Engineering 
School of Physical and Mathematical Sciences 
Research Centres: Energy Research Institute @ NTU (ERI@N) 
Centre of High Field NMR Spectroscopy and Imaging
Rights: © 2021 The Royal Society of Chemistry. All rights reserved. This paper was published in Nanoscale and is made available with permission of The Royal Society of Chemistry.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:ERI@N Journal Articles
MSE Journal Articles
SPMS Journal Articles

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