Hybrid inorganic/organic perovskites

Halide perovskites irrupted in the landscape of materials for energy-, light- and information applications.

PV devices based on halide perovskites are swiftly approaching the Shockley-Queisser limits, while perovskite LEDs are opening the path towards new sources of blue-light emitters and perovskite quantum-dots are demonstrating exotic quantum emission properties.

At the CMN, we combine ab-initio electronic structure calculations with theoretical analyses and, more recently, Machine-Learning, to investigate the unique properties of these materials. Investigations are both in connection with experimental groups and in standalone fashion.

Recent Publications

Ultrafast relaxation of lattice distortion in two-dimensional perovskites

Zhang, H., Li, W., Essman, J., C. Quarti et al.
Nat. Phys. 19, 545–550 (2023). DOI: https://doi.org/10.1038/s41567-022-01903-6

Nuclear Quadrupolar Resonance Structural Characterization of Halide Perovskites and Perovskitoids: A Roadmap from Electronic Structure Calculations for Lead–Iodide-Based Compounds

C. Quarti, R. Gautier, M. Zacharias, A. Gansmuller, and C. Katanet
J. Am. Chem. Soc. 2025, 147, 1, 278–291. DOI: https://doi.org/10.1021/jacs.4c09877

Photodoping through local charge carrier accumulation in alloyed hybrid perovskites for highly efficient luminescence.

Feldmann, S., Macpherson, S., Senanayak, S.P. et al.  Nat. Photonics 14, 123–128 (2020). DOI: https://doi.org/10.1038/s41566-019-0546-8