Breathing Raman modes in Ag2S nanoparticles obtained from F9 zeolite matrix
2015; Elsevier BV; Volume: 463; Linguagem: Inglês
10.1016/j.chemphys.2015.10.009
ISSN1873-4421
AutoresY. Delgado‐Beleño, M. Cortez-Valadez, C.E. Martínez-Núñez, R. Britto Hurtado, Ramón A.B. Álvarez, O. Rocha‐Rocha, H. Arizpe-Chávez, A. Pérez-Rodrı́guez, M. Flores-Acosta,
Tópico(s)Crystal Structures and Properties
ResumoAg2S nanoparticles were synthesized with a combination of synthetic F9, silver nitrate (AgNO3) and monohydrated sodium sulfide (Na2S9H2O). An ionic exchange was achieved via hydrothermal reaction. Nanoparticles with a predominant size ranging from 2 to 3 nm were obtained through Transmission Electron Microscopy (TEM). The nanoparticles feature a phase P21/n (14) monoclinic structure. A Raman band can be observed at around 250 cm−1 in the nanoparticles. Furthermore, the vibrational properties and stability parameters of the clusters (AgS)n, (with n = 2–9) were studied by the Density Functional Theory (DFT). The approximation levels used with DFT were: Local Spin Density Approximation (LSDA) and Becke's three-parameter and the gradient corrected functional of Lee, Yang and Puar (B3LYP) in combination with the basis set LANL2DZ (the effective core potentials and associated double-zeta valence). The Radial Breathing Mode (RBM) for B3LYP was found between 227 and 295 cm−1 as well as in longer wavelengths for LSDA.
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