Design principles for emerging chalcogenide photovoltaics
Alex Ganose a
a Department of Chemistry, Imperial College London, Wood Lane, 80, United Kingdom
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS23 & Sustainable Technology Forum València (STECH23) (MATSUS23)
#Adinos - Advances in inorganic thin film semiconductors for solar energy conversion: From photovoltaics to solar fuels
VALÈNCIA, Spain, 2023 March 6th - 10th
Organizer: Sudhanshu Shukla
Invited Speaker, Alex Ganose, presentation 094
DOI: https://doi.org/10.29363/nanoge.matsus.2023.094
Publication date: 22nd December 2022

Lone pair containing solar absorbers are of interest due to their beneficial charge and defect screening properties which are similar to those of the exceptionally efficient lead halide hybrid perovskites. Both bismuth and antimony absorbers are composed of earth-abundant materials and experience the same beneficial relativistic effects that act to increase the width of the conduction band. Unlike lead, however, bismuth and antimony are non-toxic and non-bioaccumulating, meaning the impact of environmental contamination is greatly reduced. In this talk, we outline general design rules for emerging earth-abundant chalcogenide photovoltaics. We demonstrate how these rules apply to the most promising PV absorbers. Using a data driven approach, we identify a new class of layered lone-pair materials that have not yet been tested as photovoltaics but which possess promising optoelectronic and charge transport properties. We highlight the potential of this materials class as PV absorbers using relativistic hybrid density functional theory and simulations of device performance.

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