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  4. Dynamic Nuclear Polarization Enables NMR of Surface Passivating Agents on Hybrid Perovskite Thin Films
 
research article

Dynamic Nuclear Polarization Enables NMR of Surface Passivating Agents on Hybrid Perovskite Thin Films

Mishra, Aditya  
•
Hope, Michael A.  
•
Almalki, Masaud  
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August 24, 2022
Journal Of The American Chemical Society

Surface and bulk molecular modulators are the key to improving the efficiency and stability of hybrid perovskite solar cells. However, due to their low concentration, heterogeneous environments, and low sample mass, it remains challenging to characterize their structure and dynamics at the atomic level, as required to establish structure-activity relationships. Nuclear magnetic resonance (NMR) spectroscopy has revealed a wealth of information on the atomic-level structure of hybrid perovskites, but the inherent insensitivity of NMR severely limits its utility to characterize thin-film samples. Dynamic nuclear polarization (DNP) can enhance NMR sensitivity by orders of magnitude, but DNP methods for perovskite materials have so far been limited. Here, we determined the factors that limit the efficiency of DNP NMR for perovskite samples by systematically studying layered hybrid perovskite analogues. We find that the fast-relaxing dynamic cation is the major impediment to higher DNP efficiency, while microwave absorption and particle morphology play a secondary role. We then show that the former can be mitigated by deuteration, enabling 1H DNP enhancement factors of up to 100, which can be harnessed to enhance signals from dopants or additives present in very low concentrations. Specifically, using this new DNP methodology at a high magnetic field and with small sample volumes, we have recorded the NMR spectrum of the 20 nm (6 mu g) passivating layer on a single perovskite thin film, revealing a two-dimensional (2D) layered perovskite structure at the surface that resembles the n = 1 homologue but which has greater disorder than in bulk layered perovskites.

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Type
research article
DOI
10.1021/jacs.2c05316
Web of Science ID

WOS:000863673000001

Author(s)
Mishra, Aditya  
Hope, Michael A.  
Almalki, Masaud  
Pfeifer, Lukas  
Zakeeruddin, Shaik Mohammed  
Graetzel, Michael  
Emsley, Lyndon  
Date Issued

2022-08-24

Published in
Journal Of The American Chemical Society
Volume

144

Issue

33

Start page

15175

End page

15184

Subjects

Chemistry, Multidisciplinary

•

Chemistry

•

solid-state nmr

•

lead halide perovskites

•

enhanced nmr

•

solar-cells

•

phase segregation

•

cation dynamics

•

efficient

•

spectroscopy

•

iodide

•

methylammonium

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LRM  
LPI  
FunderGrant Number

FNS

200020_178860

Available on Infoscience
October 24, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/191507
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