Breathing Raman modes in Ag2S nanoparticles obtained from F9 zeolite matrix

Y. Delgado-Beleño, M. Cortez-Valadez, C. E. Martinez-Nuñez, R. Britto Hurtado, Ramón A.B. Alvarez, O. Rocha-Rocha, H. Arizpe-Chávez, A. Perez-Rodríguez, M. Flores-Acosta

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Ag2S 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.

Original languageEnglish
Pages (from-to)106-110
Number of pages5
JournalChemical Physics
StatePublished - 16 Dec 2015

Bibliographical note

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© 2015 Elsevier B.V. All rights reserved.


  • Amorphous clusters
  • Nanoparticles
  • Radial Breathing Mode
  • Raman modes in semiconductor nanoparticles
  • Silver sulfide


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