Breathing Raman modes in Ag2S nanoparticles obtained from F9 zeolite matrix

Autor:	C.E. Martinez-Nuñez, H. Arizpe-Chávez, M. Flores-Acosta, Y. Delgado-Beleño, Ramón A.B. Alvarez, M. Cortez-Valadez, O. Rocha-Rocha, A. Perez-Rodriguez, R. Britto Hurtado
Rok vydání:	2015
Předmět:	Valence (chemistry) Silver sulfide Analytical chemistry General Physics and Astronomy Nanoparticle Ionic bonding chemistry.chemical_compound symbols.namesake chemistry symbols Density functional theory Physical and Theoretical Chemistry Raman spectroscopy Basis set Monoclinic crystal system
Zdroj:	Chemical Physics. 463:106-110
ISSN:	0301-0104
DOI:	10.1016/j.chemphys.2015.10.009
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d102cf9c1b894135e2448415f369e9d2 https://doi.org/10.1016/j.chemphys.2015.10.009 Zobrazit plný text záznamu Full Text from ScienceDirect