Scientists introduce c-MOFs in emerging SrZrS₃ chalcogenide perovskites for efficient solar cells

A study led by Dr. Latha Marasamy, a research professor at the Autonomous University of Querétaro, Mexico, is setting the stage for advancements in solar energy technology. The research team has made a significant breakthrough by exploring the capabilities of SrZrS₃ absorbers in cutting-edge chalcogenide perovskite solar cells, marking the first time such potential has been theoretically predicted.

The integration of SrZrS₃ with conductive metal-organic frameworks (c-MOFs) as hole transport layers (HTLs) has led to impressive solar cell performance.

Utilizing the SCAPS-1D simulation tool developed by the University of Ghent, the researchers assessed various c-MOFs, including notable candidates like Cu-MOF ({[Cu₂(6-mercapto nicotinate)]·NH₄}n), NTU-9, Fe₂(DSBDC), Sr-MOF ({[Sr(ntca)(H₂O)₂]·H₂O}n), Mn₂(DSBDC), and Cu₃(HHTP)₂. Their efforts culminated in remarkable power conversion efficiencies (PCEs), with the Cu-MOF-based solar cell achieving an astounding 30.60%.

“These results are groundbreaking,” said Dr. Aruna-Devi Rasu Chettiar.

The team ran extensive simulations across 193 configurations, highlighting the importance of optimizing crucial parameters such as carrier concentration and layer thickness. This optimization is essential for enhancing charge carrier lifetime, diffusion length, and light absorption capabilities.

They also underscored the significance of fine-tuning interfacial properties and minimizing parasitic resistances to achieve superior device performance.

The newly optimized devices demonstrated significant improvements, including elevated quasi-Fermi levels, enhanced conductivity, and a remarkable 35% increase in spectral response in the near-infrared region, said Dr. Latha Marasamy.

Notably, the devices exhibited a high recombination resistance of 1.4×10⁷ Ω·cm² and a built-in potential of approximately 0.99 V, further contributing to their impressive efficiencies.

This research was published in Solar Energy Materials and Solar Cells under the title “Emerging Class of SrZrS₃ Chalcogenide Perovskite Solar Cells: Conductive MOFs as HTLs—A Game Changer?“

Doctoral researcher Evangeline Linda highlighted the potential implications of this work, stating, “Our research could pave the way for the photovoltaic community to develop highly efficient thin-film solar cells by integrating novel SrZrS₃ absorbers and c-MOFs as HTLs.”

In conclusion, this innovative study showcases the transformative potential of combining SrZrS₃ absorbers with advanced c-MOF materials. Such integration holds great promise for ushering in a new era of sustainable and highly efficient photovoltaic technologies, significantly propelling solar energy towards a more impactful and viable future.

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Dr. Latha Marasamy is a Research Professor at the Faculty of Chemistry at UAQ, where she leads an innovative team of international students and researchers. Her diverse research interests encompass carbon and graphene, chalcogenide semiconductors, metal oxides, MOFs, as well as plasmonic metal nitrides and phosphides, all aimed at energy and environmental applications. Additionally, her team provides theoretical insights into solar cells through the use of SCAPS-1D simulation.