ROLE of SPACER CATIONS and STUCTURAL DISTORTION in TWO-DIMENSIONAL GERMANIUM HALIDE PEROVSKITES
Rossella Chiara a, Lorenzo Malavasi a, Massimo Boiocchi b, Mauro Coduri a, Marta Morana a, Francesco Fracassi c, Andrea Listorti c, Arup Mahata d e, Paolo Quadrelli a, Mattia Gaboardi f, Chiara Milanese a, Luca Bindi g, Filippo De Angelis d e h, Marinella Striccoli c
a University of Pavia and INSTM, Via Torquato Taramelli, 12, Pavia, Italy
b Centro Grandi Strumenti (CGS), University of Pavia
c Department of Chemistry, University of Bari Aldo Moro, Via Orabona 4, 70126 Bari, Italy
d Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR Di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Perugia, Italy
e CompuNet, Istituto Italiano di Tecnologia (IIT), Genova, Genova, Italy
f Elettra-Sincrotrone Trieste S.C.p.A, Strada Statale 14 - km 163,5 in AREA Science Park Basovizza, Trieste, Italy
g Department of Earth Science, University of Firenze
h University of Perugia Department of Chemistry, Biology and Biotechnology, Via dell' Elce di Sotto, 8, Perugia, Italy
Materials for Sustainable Development Conference (MATSUS)
Proceedings of Materials for Sustainable Development Conference (MAT-SUS) (NFM22)
#PbFreePero - The potential of lead-free perovskites: synthesis, properties, and applications
Barcelona, Spain, 2022 October 24th - 28th
Organizers: Loreta Muscarella, Eline Hutter and Hendrik Bolink
Poster, Rossella Chiara, 282
Publication date: 11th July 2022

The elucidation of the structure-property correlation in 2D metal halide perovskites is a key issue to understand the dependance of optical properties on structural distortions and to design novel tailored materials. To extend the actual knowledge on this kind of correlation for lead-free materials, we studied four novel 2D germanium bromide perovskites, namely A2GeBr4 with A = phenylethylammonium (PEA), Br-phenylethylammonium (BrPEA), F-phenylethylammonium (FPEA), and benzylammonium (BZA). A dependance of the band gap value and emission characteristics in terms of Stokes shift and peak width has been highlighted and correlated with the octahedral distortion parameters. In addition, by comparing the actual results with previous data on analogous Sn- and Pb-based materials, we observed an intrinsic increased distortion induced by germanium, particularly on the octahedral bon elongation and bon angle variance, and less on the Ge-Br-Ge bond angle. The structural and optical investigation, together with density functional theory simulations, clarified the role of different structural distortion parameters on the optical properties for a series of 2D Ge-containing perovskites, thus providing novel clues for the future design of layered lead-free materials.

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