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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Petrov, R. H. | Madrid |
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| Bih, L. |
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| Casati, R. |
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| Kočí, Jan | Prague |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Ramanandan, Santhanu Panikar
École Polytechnique Fédérale de Lausanne
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (3/3 displayed)
- 2023Understanding the growth mechanism of BaZrS3 chalcogenide perovskite thin films from sulfurized oxide precursors
- 2023Understanding the growth mechanism of BaZrS 3 chalcogenide perovskite thin films from sulfurized oxide precursorscitations
- 2023Understanding the growth mechanism of BaZrS<sub>3</sub> chalcogenide perovskite thin films from sulfurized oxide precursorscitations
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article
Understanding the growth mechanism of BaZrS<sub>3</sub> chalcogenide perovskite thin films from sulfurized oxide precursors
Abstract
<jats:title>Abstract</jats:title><jats:p>Barium zirconium sulfide (BaZrS<jats:sub>3</jats:sub>) is an earth-abundant and environmentally friendly chalcogenide perovskite with promising properties for various energy conversion applications. Recently, sulfurization of oxide precursors has been suggested as a viable solution for effective synthesis, especially from the perspective of circumventing the difficulty of handling alkali earth metals. In this work, we explore in detail the synthesis of BaZrS<jats:sub>3</jats:sub> from Ba-Zr-O oxide precursor films sulfurized at temperatures ranging from 700 °C to 1000 °C. We propose a formation mechanism of BaZrS<jats:sub>3</jats:sub> based on a two-step reaction involving an intermediate amorphization step of the BaZrO<jats:sub>3</jats:sub> crystalline phase. We show how the diffusion of sulfur (S) species in the film is the rate-limiting step of this reaction. The processing temperature plays a key role in determining the total fraction of conversion from oxide to sulfide phase at a constant flow rate of the sulfur-containing H<jats:sub>2</jats:sub>S gas used as a reactant. Finally, we observe the formation of stoichiometric BaZrS<jats:sub>3</jats:sub> (1:1:3), even under Zr-rich precursor conditions, with the formation of ZrO<jats:sub>2</jats:sub> as a secondary phase. This marks BaZrS<jats:sub>3</jats:sub> quite unique among the other types of chalcogenides, such as chalcopyrites and kesterites, which can instead accommodate quite a large range of non-stoichiometric compositions. This work opens up a pathway for further optimization of the BaZrS<jats:sub>3</jats:sub> synthesis process, straightening the route towards future applications of this material.</jats:p>