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Ti-Alloying of BaZrS3 Chalcogenide Perovskite for Photovoltaics.

ABSTRACT: BaZrS3, a prototypical chalcogenide perovskite, has been shown to possess a direct band gap, an exceptionally strong near band edge light absorption, and good carrier transport. Coupled with its great stability, nontoxicity with earth-abundant elements, it is thus a promising candidate for thin film solar cells. However, its reported band gap in the range of 1.7-1.8 eV is larger than the optimal value required to reach the Shockley-Queisser limit of a single-junction solar cell. Here, we report the synthesis of Ba(Zr1-x Ti x )S3 perovskite compounds with a reduced band gap. It is found that Ti-alloying is extremely effective in band gap reduction of BaZrS3: a mere 4 atom % alloying decreases the band gap from 1.78 to 1.51 eV, resulting in a theoretical maximum power conversion efficiency of 32%. Higher Ti-alloying concentration is found to destabilize the distorted chalcogenide perovskite phase.

SUBMITTER: Wei X

PROVIDER: S-EPMC7407533 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

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Ti-Alloying of BaZrS<sub>3</sub> Chalcogenide Perovskite for Photovoltaics.

Wei Xiucheng X Hui Haolei H Perera Samanthe S Sheng Aaron A Watson David F DF Sun Yi-Yang YY Jia Quanxi Q Zhang Shengbai S Zeng Hao H

ACS omega 20200724 30

BaZrS<sub>3</sub>, a prototypical chalcogenide perovskite, has been shown to possess a direct band gap, an exceptionally strong near band edge light absorption, and good carrier transport. Coupled with its great stability, nontoxicity with earth-abundant elements, it is thus a promising candidate for thin film solar cells. However, its reported band gap in the range of 1.7-1.8 eV is larger than the optimal value required to reach the Shockley-Queisser limit of a single-junction solar cell. Here, ...[more]

PMID: 32775859

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