journal article·2024-08Open access

From Chalcogen Bonding to S–π Interactions in Hybrid Perovskite Photovoltaics

Weifan Luo, SunJu Kim, Nikolaos Lempesis, Lena Merten, Ekaterina Kneschaurek, Mathias Dankl, Virginia Carnevali, Lorenzo Agosta, Vladislav Slama, Zachary VanOrman, Miłosz Siczek, Wojciech Bury, Benjamin Gallant, Dominik J. Kubicki, Michal Zalibera, Laura Piveteau, Marielle Deconinck, L. Andrés Guerrero‐León, Aaron T. Frei, Patricia A. Gaina, Eva Carteau, Paul Zimmermann, Alexander Hinderhofer, Frank Schreiber, Jacques‐E. Moser, Yana Vaynzof, Sascha Feldmann, Ji‐Youn Seo, Ursula Rothlisberger, Jovana V. Milić

Advanced Science· Volume 11· Issue 32

Abstract

Abstract The stability of hybrid organic–inorganic halide perovskite semiconductors remains a significant obstacle to their application in photovoltaics. To this end, the use of low‐dimensional (LD) perovskites, which incorporate hydrophobic organic moieties, provides an effective strategy to improve their stability, yet often at the expense of their performance. To address this limitation, supramolecular engineering of noncovalent interactions between organic and inorganic components has shown potential by relying on hydrogen bonding and conventional van der Waals interactions. Here, the capacity to access novel LD perovskite structures that uniquely assemble through unorthodox S‐mediated interactions is explored by incorporating benzothiadiazole‐based moieties. The formation of S‐mediated LD structures is demonstrated, including one‐dimensional (1D) and layered two‐dimensional (2D) perovskite phases assembled via chalcogen bonding and S–π interactions. This involved a combination of techniques, such as single crystal and thin film X‐ray diffraction, as well as solid‐state NMR spectroscopy, complemented by molecular dynamics simulations, density functional theory calculations, and optoelectronic characterization, revealing superior conductivities of S‐mediated LD perovskites. The resulting materials are applied in n‐i‐p and p‐i‐n perovskite solar cells, demonstrating enhancements in performance and operational stability that reveal a versatile supramolecular strategy in photovoltaics.
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Research context

OpenAlex topics: Perovskite Materials and Applications · Chalcogenide Semiconductor Thin Films · Solid-state spectroscopy and crystallography

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Adolphe Merkle Institute University of Fribourg Fribourg 1700 Switzerland

Department of Nanoenergy Engineering Pusan National University Busan 46241 South Korea

Laboratory of Computational Chemistry and Biochemistry Institute of Chemical Sciences and Engineering École Polytechnique Fédérale de Lausanne Lausanne 1015 Switzerland

Institute of Applied Physics University of Tübingen 72076 Tübingen Germany

Rowland Institute Harvard University Cambridge MA 02142 USA

Faculty of Chemistry University of Wrocław Wrocław 50–383 Poland

School of Chemistry University of Birmingham Birmingham B15 2TT UK

Institute of Physical Chemistry and Chemical Physics Slovak University of Technology Bratislava 81237 Slovakia

Laboratory of Magnetic Resonance EPFL Lausanne 1015 Switzerland

Chair for Emerging Electronic Technologies Technical University of Dresden 02062 Dresden Germany

Leibniz Institute for Solid State and Materials Research Dresden Dresden University of Technology Helmholtzstraße 20 01069 Dresden Germany

Photochemical Dynamic Group Institute of Chemical Sciences and Engineering École Polytechnique Fédérale de Lausanne Lausanne 1015 Switzerland

Funding

European Research Council · HORIZON EUROPE European Research Council · Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

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