Perovskites and Beyond: Electronic Tunability and Intrinsic Challenges of Novel Lead-Free Antimony-Iodide based Materials
Andreas Weis a, Thomas Bein a, Rik Hooijer a, Patrick Ganswindt a, Waldemar Kaiser b, Edoardo Mosconi b, Filippo De Angelis b, Clemént Maheu c, Jan Philipp Hofmann c, Patrick Dörflinger d, Melina Armer d, Vladimir Dyakonov d, Nadja Glück e
a University of Munich (LMU), Department of Chemistry and Center for Nanoscience (CeNS), 81377 Múnich, Alemania, Múnich, Germany
b Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche (SCITEC-CNR), Via Elce di Sotto 8, 06123, Perugia, Italy
c Surface Science Laboratory, Department of Materials and Earth Sciences, Technical University of Darmstadt, Otto-Berndt-Strasse 3, 64287 Darmstadt, Germany
d Experimental Physics VI, Julius Maximilian University of Würzburg, 97074 Würzburg, Germany
e Department of Materials Science and Engineering, Monash University, Clayton, Victoria, 3800 Australia, Wellington Rd, Clayton, Australia
International Conference on Hybrid and Organic Photovoltaics
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV23)
London, United Kingdom, 2023 June 12th - 14th
Organizers: Tracey Clarke, James Durrant and Trystan Watson
Poster, Andreas Weis, 082
Publication date: 30th March 2023

The presence of lead in high-performing hybrid perovskite-based solar cells remains a significant issue regarding commercial applications. On the other hand, materials based on Sb3+ as central atom are promising new candidates for low toxicity photovoltaic applications, as the same ns2 orbital configuration governs the frontier band character and semiconducting properties. Here, we showcase the thin film synthesis of 2D-MA3Sb2I9  and AgSbI4, circumventing  common problems related to the use of antimony iodide as precursor. Furthermore, we demonstrate further synthetic and resulting electronic control of both these phases by heteroatom incorporation of Sn and Cu, leading to unique optical properties such as ultra-broad intervalence absorption. We critically assess the prospects of these compounds for optoelectronic applications by means of thorough theoretical and spectroscopic studies, revealing the presence of deep intragap states which govern the excitation behavior. Collectively, these results can help to achieve enhanced synthetic control and general understanding of the benefits and challenges associated with important lead-free perovskite alternatives.

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