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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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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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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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Balasubramanian, Ganesh
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Publications (4/4 displayed)
- 2024Piezoelectricity in chalcogenide perovskitescitations
- 2023Phase and thermodynamics-informed predictive model for laser beam additive manufacturing of a multi-principal element alloycitations
- 2023Machine learning guided prediction of the yield strength and hardness of multi-principal element alloyscitations
- 2022Vacancy formation energies and migration barriers in multi-principal element alloyscitations
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article
Piezoelectricity in chalcogenide perovskites
Abstract
<jats:title>Abstract</jats:title><jats:p>Piezoelectric materials show potential to harvest the ubiquitous, abundant, and renewable energy associated with mechanical vibrations. However, the best performing piezoelectric materials typically contain lead which is a carcinogen. Such lead-containing materials are hazardous and are being increasingly curtailed by environmental regulations. In this study, we report that the lead-free chalcogenide perovskite family of materials exhibits piezoelectricity. First-principles calculations indicate that even though these materials are centrosymmetric, they are readily polarizable when deformed. The reason for this is shown to be a loosely packed unit cell, containing a significant volume of vacant space. This allows for an extended displacement of the ions, enabling symmetry reduction, and resulting in an enhanced displacement-mediated dipole moment. Piezoresponse force microscopy performed on BaZrS<jats:sub>3</jats:sub> confirmed that the material is piezoelectric. Composites of BaZrS<jats:sub>3</jats:sub> particles dispersed in polycaprolactone were developed to harvest energy from human body motion for the purposes of powering electrochemical and electronic devices.</jats:p>