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Phonon-Ion Coupling & Non-equilibrium Dynamics in MHPs

Reference number
SNP24-0021
Project leader
Shi, Kanming
Start and end dates
260601-290531
Amount granted
4 000 000 SEK
Administrative organization
KTH - Royal Institute of Technology
Research area
Materials Science and Technology

Summary

Metal halide perovskites have emerged as promising materials for next-generation optoelectronic and energy-conversion technologies due to their long carrier lifetimes, high quantum efficiency. Despite these advantages, their practical deployment remains limited by insufficient understanding of non-equilibrium lattice and ion dynamics and how these processes influence material stability and charge-carrier transport under operating conditions. In particular, the microscopic interplay between phonons, mobile ions, and photo-generated charge carriers remains unresolved, largely due to the lack of experimental approaches capable of probing these degrees of freedom simultaneously and under illumination. The goal of this project is to establish how phonon–ion coupling governs non-equilibrium dynamics and stability in metal halide perovskites, using a coordinated experimental approach based on quasi-elastic neutron scattering, inelastic neutron scattering, and muon spin spectroscopy. By integrating these complementary techniques, the project aims to connect local ionic motion, collective lattice excitations, and photo-induced processes across relevant length and time scales.

Popular science description

As the global demand for sustainable energy increases, metal halide perovskites have emerged as a promissing material for next-generation solar cells due to their exceptional light absorption and low manufacturing costs. However, their widespread use is currently limited by the stability, as how the internal structure behaves under real-world operating conditions is not fully understand. These materials are uniquely "soft" at the atomic-scale, meaning the atoms and molecules inside them vibrate and move in complex ways that directly influence how they convert sunlight into electricity. To achieve reliable and efficient devices, a fundamental understanding of how these internal motions and vibrations, as known as phonon-ion coupling, interact under light is required. This project aims to establish how this coupling governs material stability by using advanced neutron and muon beams as powerful "microscopes" to observe atomic-scale dynamics in real-time under illumination. By developing this new integrated testing framework, we will provide the knowledge needed to design more durable solar panels and strengthen Sweden's expertise in utilizing the European Spallation Source (ESS).