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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.)

Connecting Theory with Experiment to Understand the Sintering Processes of Ag Nanoparticles

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da Silva, Edison Z. [1] ; Faccin, Giovani M. [2] ; Machado, Thales R. [3] ; Macedo, Nadia G. [3] ; de Assis, Marcelo [3] ; Maya-Johnson, Santiago [3] ; Sczancoski, Julio C. [3] ; Andres, Juan [4] ; Longo, Elson [3] ; San-Miguel, Miguel A. [5]
Total Authors: 10
[1] Univ Estadual Campinas, Inst Phys Gleb Wataghin, CP 6165, BR-13083985 Campinas, SP - Brazil
[2] Fundacao Univ Fed Grande Dourados, Fac Ciencias Exatas & Tecnol, Unidade II, CP 533, BR-79804970 Dourados, MS - Brazil
[3] Fed Univ Sao Carlos UFSCar, LIEC, CDMF, POB 676, BR-13565905 Sao Carlos, SP - Brazil
[4] UJI, Dept Analyt & Phys Chem, Castellon de La Plana 12071 - Spain
[5] Univ Estadual Campinas, Inst Quim, CP 6165, BR-13083970 Campinas, SP - Brazil
Total Affiliations: 5
Document type: Journal article
Source: Journal of Physical Chemistry C; v. 123, n. 17, p. 11310-11318, MAY 2 2019.
Web of Science Citations: 0

A complementary combination of long-time atomistic molecular dynamics simulations and real-time transmission electron microscopy (TEM) images has been utilized for unraveling, at an atomic resolution, the nature of the sintering process of Ag nanoparticles (NPs) induced on the surface of an alpha-Ag2WO4 crystal for the first time, under the exposure of a TEM electron beam (EB). Temporal evolution of calculated and experimental results highlights the role of the lattice plane matching and the stacking faults along the disorder-to-order transitions of the oriented attachment process. This phenomenon is considered as an example of surface plasmon resonances (SPRs), in which the EB has two effects: first, it provokes the formation of the Ag NPs that, due to the electron irradiation, become SPR electric dipoles, and, second, these Ag NPs undergo sintering processes that are controlled by dipole-dipole interactions forming larger clusters. The predictive power of the simulation model was verified experimentally, paving the way for quantitative predictions of the events involved in the Ag NP sintering process. These findings reveal the atomic-scale dynamics, which helps advance the general understanding and provides further support and reliability of the conclusions of this study. (AU)

FAPESP's process: 16/23891-6 - Computer modeling of condensed matter
Grantee:Alex Antonelli
Support Opportunities: Research Projects - Thematic Grants
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