Radial breathing modes in silver selenide quantum dots
| Autor: | M. Cortez-Valadez, Ramón A.B. Alvarez, C.E. Martinez-Nuñez, O. Rocha-Rocha, M. Flores-Acosta, H. Arizpe-Chávez, Y. Delgado-Beleño, R. Britto Hurtado |
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| Rok vydání: | 2016 |
| Předmět: |
Materials science
Condensed matter physics Ion exchange Mechanical Engineering 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Molecular physics 0104 chemical sciences chemistry.chemical_compound symbols.namesake chemistry Mechanics of Materials Transmission electron microscopy Quantum dot Selenide Phase (matter) symbols General Materials Science Density functional theory 0210 nano-technology Raman spectroscopy Basis set |
| Zdroj: | Materials Letters. 167:135-140 |
| ISSN: | 0167-577X |
| DOI: | 10.1016/j.matlet.2015.12.139 |
| Popis: | Silver selenide (Ag 2 Se) quantum dots obtained in synthetic zeolite F9 through ion exchange are reported in this work. A hydrothermal reaction was conducted between the zeolite–Ag + system with Na 2 SeSO 3 . Quantum dots smaller than 10 nm were measured by Transmission Electron Microscopy (TEM). The particles have a cubic structure with a phase lm-m (229). A shoulder centered at 150 cm −1 was experimentally detected after the synthesis of quantum dots by Raman Spectroscopy. The Density Functional Theory (DFT) was employed to determine a possible allocation to the Raman band detected. The LSDA (Local Spin Density Approximation) approximation levels and B3LYP (Becke's three-parameter Exchange functional and the gradient corrected functional of Lee, Yang and Puar) were employed in combination with the basis set LANL2DZ (Los Alamos National Laboratory 2-double-ζ) to study the structural and vibrational properties in minimum energy clusters (AgSe) n . Radial Breathing Modes were detected between 150 and 252 cm −1 for these levels of approximation. |
| Databáze: | OpenAIRE |
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