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| Format: | Artículo científico |
| Sprache: | en |
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Universidad de Oriente
2023
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| Online-Zugang: | https://www.redalyc.org/articulo.oa?id=443582624001 https://www.redalyc.org/journal/4435/443582624001/ https://www.redalyc.org/journal/4435/443582624001/html/ https://www.redalyc.org/journal/4435/443582624001/443582624001.epub https://www.redalyc.org/journal/4435/443582624001/movil |
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Inhaltsangabe:
- Strontium stannate as an alternative anode for alkali-ion batteries Juan Carlos Donatién-Caballeros Rafael Francisco Mut-Benítez Yohandys A. Zulueta Minh Tho-Nguyen Química SrSnO3 migración de Li batería alcalina batería de ion Li simulaciones atomísticas In this work, the structural, electronic and transport properties of SrSnO3 are explored using density functional theory and forcefield-based simulations. The results of structural and electronic properties are in line with the experiments. Results on alkali ion transport properties reveal lower diffusion activation energies of 0,25; 0,28 and 0,44 eV and diffusion coefficient at ambient temperature of 9,6 × 10-11; 2,9 × 10-11 and 4,8 × 10-13 cm2s-1 for Li-, Na- and K-doped samples, respectively. These predicted properties provides new evidence to consider SrSnO3 for use as an alternative anode, in particular for both Na- and K-ion batteries. 2023 artículo científico 0258-5995 https://www.redalyc.org/articulo.oa?id=443582624001 https://www.redalyc.org/journal/4435/443582624001/ https://www.redalyc.org/journal/4435/443582624001/html/ https://www.redalyc.org/journal/4435/443582624001/443582624001.epub https://www.redalyc.org/journal/4435/443582624001/movil en http://www.redalyc.org/revista.oa?id=4435 Revista Cubana de Química application/pdf Universidad de Oriente Revista Cubana de Química (Cuba) Num.1 Vol.35