journal article·2021-07Open access

Polymorphism in Non‐Fullerene Acceptors Based on Indacenodithienothiophene

Sara Marina, Alberto D. Scaccabarozzi, Edgar Gutierrez‐Fernandez, Eduardo Solano, Aditi Khirbat, Laura Ciammaruchi, Amaia Iturrospe, Alex Balzer, Liyang Yu, Elena Gabirondo, Xavier Monnier, Haritz Sardon, Thomas D. Anthopoulos, Mario Caironi, Mariano Campoy‐Quiles, Christian Müller, Daniele Cangialosi, Natalie Stingelin, Jaime Martin

Advanced Functional Materials· Volume 31· Issue 29

Abstract

Abstract Organic solar cells incorporating non‐fullerene acceptors (NFAs) have reached remarkable power conversion efficiencies of over 18%. Unlike fullerene derivatives, NFAs tend to crystallize from solutions, resulting in bulk heterojunctions that include a crystalline acceptor phase. This must be considered in any morphology‐function models. Here, it is confirmed that high‐performing solution‐processed indacenodithienothiophene‐based NFAs, i.e., ITIC and its derivatives ITIC‐M, ITIC‐2F, and ITIC‐Th, exhibit at least two crystalline forms. In addition to highly ordered polymorphs that form at high temperatures, NFAs arrange into a low‐temperature metastable phase that is readily promoted via solution processing and leads to the highest device efficiencies. Intriguingly, the low‐temperature forms seem to feature a continuous network that favors charge transport despite of a poorly order along the π–π stacking direction. As the optical absorption of the structurally more disordered low‐temperature phase can surpass that of the more ordered polymorphs while displaying comparable—or even higher—charge transport properties, it is argued that such a packing structure is an important feature for reaching highest device efficiencies, thus, providing guidelines for future materials design and crystal engineering activities.
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Research context

OpenAlex topics: Organic Electronics and Photovoltaics · Conducting polymers and applications · Perovskite Materials and Applications

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

Affiliations

POLYMAT University of the Basque Country UPV/EHU Av. de Tolosa 72 San Sebastián 20018 Spain

King Abdullah University of Science and Technology (KAUST) KAUST Solar Center (KSC) Thuwal 23955 Saudi Arabia

Center for Nano Science and Technology@PoliMi Istituto Italiano di Tecnologia via Giovanni Pascoli 70/3 Milan 20133 Italy

ALBA Synchrotron Light Source NCD‐SWEET Beamline Cerdanyola del Vallès 08290 Spain

School of Materials Science and Engineering and School of Chemical & Biomolecular Engineering Georgia Institute of Technology 311 Ferst Drive Atlanta GA 30332 USA

Instituto de Ciencia de Materiales de Barcelona (ICMAB‐CSIC) Campus UAB Bellaterra 08193 Spain

Centro de Física de Materiales (CFM) (CSIC−UPV/EHU) Materials Physics Center (MPC) Paseo Manuel de Lardizabal 5 San Sebastián 20018 Spain

Department of Chemistry and Chemical Engineering Chalmers University of Technology Göteborg 41296 Sweden

Donostia International Physics Center (DIPC) Paseo Manuel de Lardizabal 4 San Sebastián 20018 Spain

Centro de Fisica de Materiales (CSIC‐UPV/EHU) Paseo Manuel de Lardizabal 5 San Sebastián 20018 Spain

Laboratoire de Chimie des Polymères Organiques–LCPO UMR5629 Universitéde Bordeaux Allée Geoffroy Saint Hilaire Bâtiment B8 CS50023 Pessac Cedex 33615 France

Universidade da Coruña Grupo de Polímeros Departamento de Física e Ciencias da Terra Centro de Investigacións Tecnolóxicas (CIT) Esteiro Ferrol 15471 Spain

Ikerbasque Basque Foundation for Science Bilbao 48013 Spain

Funding

National Science Foundation

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