The first report on lithium nanoparticles synthesized experimentally is presented. The nanoparticles were obtained using the extract of Opuntia ficus-indica through "green synthesis". The optical, structural and vibrational properties were studied through optical absorption, TEM microscopy and Raman spectroscopy. The particles show a size of approximately 5 nm. The absorption bands were found at 315 and 415 nm in the samples after the synthesis of the nanoparticles. One Raman band was detected at around 280 cm-1. Several levels of approximation of the density functional theory and the Hartree-Fock method on the structural and vibrational study of the lithium clusters (Lin, n = 2-18) are incorporated. A radial breathing mode (RMB) type Raman mode was found for the case Lin (n > 3) in the predicted Raman spectrum. This mode shows the highest relative intensity for each case, and a shift to lower wavenumbers when the amount of atoms in the cluster increases.
Bibliographical notePublisher Copyright:
© 2015 Published by Elsevier B.V.
- DFT approximations
- Green synthesis
- Lithium nanoparticles
- Radial breathing modes
- Raman in metal nanoparticles