Dynamic Effects and Hydrogen Bonding in Mixed-Halide Perovskite Solar Cell Absorbers

Wilks, Regan G; Erbing, Axel; Sadoughi, Golnaz; Starr, David E; Handick, Evelyn; Meyer, Frank; Benkert, Andreas; Iannuzzi, Marcella; et al

doi:10.1021/acs.jpclett.1c00745

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Wilks, R. G., Erbing, A., Sadoughi, G., Starr, D. E., Handick, E., Meyer, F., Benkert, A., Iannuzzi, M., & et al. (2021). Dynamic Effects and Hydrogen Bonding in Mixed-Halide Perovskite Solar Cell Absorbers. Journal of Physical Chemistry Letters, 12(16), 3885–3890. https://doi.org/10.1021/acs.jpclett.1c00745

Abstract

The organic component (methylammonium) of CH3NH3PbI3–xClx-based perovskites shows electronic hybridization with the inorganic framework via H-bonding between N and I sites. Femtosecond dynamics induced by core excitation are shown to strongly influence the measured X-ray emission spectra and the resonant inelastic soft X-ray scattering of the organic components. The N K core excitation leads to a greatly increased N–H bond length that modifies and strengthens the interaction with the inorganic framework compared to that in the ground