Bridging theory and experiment in defect-tolerant semiconductors for photovoltaics

Hammer M, Schlott H, Lüer L, Brabec C, Sytnyk M, Will J, Meyer B, Heiß W (2025)

Publication Type: Journal article

Publication year: 2025

Journal

Nature Reviews Materials

DOI: 10.1038/s41578-024-00769-9

Abstract

Defect tolerance is a concept applied in photovoltaics to explain semiconductors such as lead-halide perovskites that excel without relying on single-crystalline growth. It differentiates from the mere absence of defects, emphasizing on minimizing the influence of defects on minority carrier lifetimes. Whether defect tolerance is the only reason for the superiority of lead-halide-perovskite-based solution-processed solar cells is still controversial. However, the defect tolerance of various semiconductor structures and materials has been experimentally suggested and, in some cases, proven. In this Perspective, we explore defect tolerance across material science, defect characterization and computational modelling. With a primary focus on electrically or optically active defects, we systematically compare computational and experimental results from the literature. We aim to address the complexity arising from diverse theoretical approaches that have yielded partially contradictory results. Additionally, experimental findings have been subject to varied interpretations, ranging from defect signals to ion migration. We endeavour to chart a course through this intricacy and seek to establish a rigorous framework for the identification and quantitative assessment of defect tolerance.

Authors with CRIS profile

Maria Hammer Institute Materials for Electronics and Energy Technology (i-MEET) (i-MEET) Hannah Schlott Interdisziplinäres Zentrum für Molekulare Materialien (ICMM) Larry Lüer Institute Materials for Electronics and Energy Technology (i-MEET) (i-MEET) Christoph Brabec Institute Materials for Electronics and Energy Technology (i-MEET) (i-MEET) Johannes Will Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Bernd Meyer Professur für Computational Chemistry Wolfgang Heiß Professur für Werkstoffwissenschaften (lösungsprozessierte Halbleitermaterialien)

Additional Organisation(s)

Graduiertenkolleg 2495/2 Energiekonvertierungssysteme: von Materialien zu Bauteilen (Energy Conversion Systems: From Materials to Devices)

Involved external institutions

Helmholtz-Institut Erlangen-Nürnberg für Erneuerbare Energien (HI-ERN) DE Germany (DE)

How to cite

APA:

Hammer, M., Schlott, H., Lüer, L., Brabec, C., Sytnyk, M., Will, J.,... Heiß, W. (2025). Bridging theory and experiment in defect-tolerant semiconductors for photovoltaics. Nature Reviews Materials. https://doi.org/10.1038/s41578-024-00769-9

MLA:

Hammer, Maria, et al. "Bridging theory and experiment in defect-tolerant semiconductors for photovoltaics." Nature Reviews Materials (2025).

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