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Kinetics and energetics of metal halide perovskite conversion reactions at the nanoscale

Published version
Peer-reviewed

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Abstract

jats:titleAbstract</jats:title>jats:pUnderstanding the kinetics and energetics of metal halide perovskite formation, particularly from the structural point of view at the nanoscale, is important for the advancement of perovskite devices. In particular, insight is needed regarding the mechanisms by which perovskite conversion reactions occur, and their kinetics. Here, we examine the structural evolution of precursor and perovskite phases using in situ synchrotron x-ray scattering. This approach mitigates issues associated with illumination and electron beam-based techniques and allows conclusions to be drawn regarding the kinetics of these reactions. We find that kinetics and grain orientation strongly depend on both the lead halide framework and the nature of the A-cation, with fastest kinetics for MAPbIjats:sub3</jats:sub>, followed by FAPbIjats:sub3</jats:sub>, and slowest for MAPbBrjats:sub3</jats:sub>. Molecular dynamics simulations and density functional theory calculations further reveal that these reactions are diffusion-controlled with a hopping time of 5-400 s, corroborating experimental findings.</jats:p>

Description

Funder: DFG (SPP 2196, SCHR 700/38-1)


Funder: Royal Society University Research Fellowship

Keywords

3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences, 3406 Physical Chemistry

Journal Title

Communications Materials

Conference Name

Journal ISSN

2662-4443
2662-4443

Volume Title

3

Publisher

Springer Science and Business Media LLC
Sponsorship
Royal Society (URF\R1\201696)
Engineering and Physical Sciences Research Council (EP/P032591/1)