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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Computational Modeling for the Ag Nanoparticle Coalescence Process: A Case of Surface Plasmon Resonance

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Faccin, Giovani M. ; San-Miguel, Miguel A. ; Andres, J. ; Longo, E. ; da Silva, E. Z.
Total Authors: 5
Document type: Journal article
Source: Journal of Physical Chemistry C; v. 121, n. 12, p. 7030-7036, MAR 30 2017.
Web of Science Citations: 7

Motivated by recent transmission electron microscopy (TEM) experiments on alpha-Ag2WO4, the coalescence process of Ag nanoparticles (NPs) is investigated using molecular dynamics (MD) simulations. These Ag NPs are formed by irradiation of alpha-Ag2WO4 crystals by electrons from a TEM gun. This behavior can be considered as a clear example of surface plasmon resonance (SPR), in which Ag NP coalescence processes are controlled by dipole-dipole interaction forming larger clusters. The interactions between Ag NPs along the coalescence processes are studied using MD simulations with embedded atom method (EAM) effective potentials for Ag. With these choices of methods, coalescence is studied by addressing different scenarios for the interacting NPs, which all could possibly occur in experiments. (AU)

FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 15/19709-5 - Theoretical studies on the formation of metallic silver nanostructures by electronic irradiation in ternary metal oxides
Grantee:Miguel Angel San Miguel Barrera
Support Opportunities: Regular Research Grants