DFT simulations of the elastic, optoelectronic, and thermoelectric attributes of AOsCl3 (A = K, Rb), a robust and environmentally friendly perovskites for green energy implications

Abstract Halide perovskites are an intriguing renewable energy materials that may assist in addressing the world’s energy scarcity. The Goldsmith tolerance factor (0.99 and 1.00) and negative formation energy guarantee the examined materials’ structural and thermodynamic stabilities. The Poisson’s a...

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Detalles Bibliográficos

Principais autores:	Danish Abdullah, Dinesh C. Gupta
Formato:	Artigo
Idioma:	Inglês
Publicado:	Nature Portfolio 2024-10-01
Series:	Scientific Reports
Assuntos:	Non-magnetic semiconductors Mechanical stability Thermoelectric traits Optoelectronic device applications
Acceso en liña:	https://doi.org/10.1038/s41598-024-73412-w
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