1. Understanding the LiOH effect on PVA membranes from an experimental vision and a density functional theory study.
- Author
-
Pinto, Yan M. C., da Silva, J. P., Nobre, F. X., do Nascimento, Marcus V. B., de B. Neto, Francisco M., Oliveira, Diogo P., da Costa, João C. M., Milério, José V. G., Sanches, E. A., Ghosh, Angsula, Aguilera, L., and Leyet, Y.
- Subjects
DENSITY functional theory ,SOLID electrolytes ,METAL-insulator transitions ,LITHIUM hydroxide ,POLYVINYL alcohol ,FOURIER transform infrared spectroscopy - Abstract
In this work, the effect of lithium hydroxide (LiOH) amalgamation on the properties of polyvinyl alcohol thermoplastic membranes, obtained by the solvent casting method, is presented. FTIR and Raman spectroscopy show the effect of Li + on vibrations of C=O, C–O and O–H functional groups. Moreover, DRX analysis confirmed the semi-crystalline nature of the samples. The density functional theory indicates an insulator–metal transition due to the lithium incorporation in the polymer. Moreover, the formation energy and structural properties have also been calculated to understand the PVA–Li interaction. The complex impedance study at room temperature indicates an improvement in the resistance values of the membranes, with the increase of the lithium content, up to 7% of LiOH (7 * 10
2 Ω). The results reveal the importance of this type of material as candidates in solid-state electrolytes. [ABSTRACT FROM AUTHOR]- Published
- 2023
- Full Text
- View/download PDF