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Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications.
- Source :
-
Journal of physics. Condensed matter : an Institute of Physics journal [J Phys Condens Matter] 2024 May 13; Vol. 36 (32). Date of Electronic Publication: 2024 May 13. - Publication Year :
- 2024
-
Abstract
- Recent studies have reported that lead-halide perovskites are the most efficient energy-harvesting materials. Regardless of their high-output energy and structural stability, lead-based products have risk factors due to their toxicity. Therefore, lead-free perovskites that offer green energy are the expected alternatives. We have taken CsGeX <subscript>3</subscript> (X = Cl, Br, and I) as lead-free halide perovskites despite knowing the low power conversion rate. Herein, we have tried to study the mechanisms of enhancement of energy-harvesting capabilities involving an interplay between structure and electronic properties. A density functional theory simulation of these materials shows a decrease in the band gaps, lattice parameters, and volumes with increasing applied pressure. We report the high piezoelectric responses and high electro-mechanical conversion rates, which are intriguing for generating electricity through mechanical stress.<br /> (© 2024 IOP Publishing Ltd.)
Details
- Language :
- English
- ISSN :
- 1361-648X
- Volume :
- 36
- Issue :
- 32
- Database :
- MEDLINE
- Journal :
- Journal of physics. Condensed matter : an Institute of Physics journal
- Publication Type :
- Academic Journal
- Accession number :
- 38670125
- Full Text :
- https://doi.org/10.1088/1361-648X/ad443e