Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV24)
DOI: https://doi.org/10.29363/nanoge.hopv.2024.017
Publication date: 6th February 2024
Empirical A-site cation engineering has significantly advanced the stability and efficiency of hybrid organic-inorganic lead halide perovskites solar cells and the functionality of X-ray detectors.
Yet, the fundamental mechanisms underpinning these improvements in this novel class of semiconductors, known for their outstanding optoelectronic properties, remain elusive.
Our comprehensive multi-modal study, designed to explore the link between microscopic structural dynamics and macroscopic properties in these materials, utilises X-ray diffuse scattering, inelastic neutron spectroscopy, and optical microscopy.
This approach uncovers the presence of dynamic, lower-symmetry local phases embedded within the higher-symmetry average structures in various perovskite compositions.
We find that local structure is tunable via the A-site cation selection: methylammonium induces anisotropic, planar domains of out-of-phase octahedral tilts, while formamidinium favours isotropic, spherical domains with in-phase tilting, even when crystallography reveals cubic symmetry on average.
The variations in local structure observed are in agreement with our simulations and are reflected in the differing macroscopic optoelectronic and ferroelastic behaviours of these compositions.
By demonstrating that the selection of the A-site cation dictates the local structure and, in turn, macroscopic properties, we establish a foundation for correlated order engineering in lead halide perovskite materials as a means of controlling their optoelectronic performance and stability.
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International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
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