This work presents the synthesis of metallic nanoparticles of titanium. The extract from the nopal (Opuntia ficus-indica) plant was used as the redactor agent. The results of transmission electronic microscopy (TEM) show that nanoparticles have a sphere-like shape with an approximate diameter of 1-4 nm. The presence of Ti in these particles was corroborated by energy dispersive X-ray spectroscopy (EDS). Optical properties were detected with the presence of absorption bands centered in 295 nm and 355 nm, similar to those reported in the literature. Two Raman bands centered at 359 cm-1 and 404 cm-1 were observed after the synthesis of titanium nanoparticles. Afterwards, structural and vibrational parameters of small clusters of Ti (Tin, n = 3-13) were analyzed by the density functional theory (DFT) at the B3LYP level of approximation combined with the basis set LANL2DZ. Radial breathing modes (RBMs) were detected in the vibrational spectrum of each cluster, placed around 298-387 cm-1.
Bibliographical notePublisher Copyright:
© 2015 World Scientific Publishing Company.
- DFT calculations
- Green synthesis
- Raman in nanoparticles
- Ti nanoparticles
- radial breathing modes