Molecular dynamics simulation of silver nanoparticles in a europium doped sodosilicate glass

Ag (in grey) and Ag–Eu (Eu in black) nanoclusters are grown by annealing of a Ag–Eu doped sodosilicate glass. Molecular dynamics simulation is applied to an europium doped sodosilicate glass containing silver [(Na–Ag) 2O–SiO 2–Eu 2O 3]. The silver is implanted in substitution of Na, simulating an io...

Full description

Saved in:
Bibliographic Details
Published in:Chemical physics letters 2010-06, Vol.493 (1), p.118-120
Main Authors: Monteil, A., Ghemid, S., Chaussedent, S., El Jouad, M., Couto dos Santos, M.A.
Format: Article
Language:English
Subjects:
Physics
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Ag (in grey) and Ag–Eu (Eu in black) nanoclusters are grown by annealing of a Ag–Eu doped sodosilicate glass. Molecular dynamics simulation is applied to an europium doped sodosilicate glass containing silver [(Na–Ag) 2O–SiO 2–Eu 2O 3]. The silver is implanted in substitution of Na, simulating an ionic exchange. For ionic interactions a modified Born–Mayer–Huggins potential was employed. For the Ag–Ag interaction, a Lennard-Jones (LJ) potential is applied, while for the Eu–Ag interaction, a modified LJ potential is introduced. The particle size increases with the annealing treatment and follows a lognormal law. After 75 ps the average particle size reaches 5.8 atoms (4.8 for Ag and 1.0 for Eu), and it is found that the europium is preferentially situated on these nanoclusters.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2010.05.018