Atomistic modeling of Ag, Au, and Pt nanoframes

Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original sh...

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Detalles Bibliográficos
Autores principales: Mosca, Hugo Osvaldo, Del Grosso, Mariela Fernanda
Publicado: 2015
Materias:
BFS method
Metallic nanocages
Nanoframes
Platinum
Atomistic modeling
Critical temperatures
Monte carlo atomistic simulations
Nanocages
Quantum methods
Structural factor
Monte Carlo methods
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09270256_v98_n_p142_Fioressi
http://hdl.handle.net/20.500.12110/paper_09270256_v98_n_p142_Fioressi
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_09270256_v98_n_p142_Fioressi
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spelling paper:paper_09270256_v98_n_p142_Fioressi2023-06-08T15:51:49Z Atomistic modeling of Ag, Au, and Pt nanoframes Mosca, Hugo Osvaldo Del Grosso, Mariela Fernanda BFS method Metallic nanocages Nanoframes Platinum Atomistic modeling BFS method Critical temperatures Monte carlo atomistic simulations Nanocages Nanoframes Quantum methods Structural factor Monte Carlo methods Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original shape to either a cluster of nanoparticles after all sides of the frame are broken, or to a large cluster after collapsing onto its own internal void. The mechanisms by which these two behaviors take place are discussed within the framework of a simple rule which determines the relationship between the structural factors (side and width) that characterize the transition from one to the other. © 2014 Elsevier B.V. All rights reserved. Fil:Mosca, H.O. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Del Grosso, M.F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2015 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09270256_v98_n_p142_Fioressi http://hdl.handle.net/20.500.12110/paper_09270256_v98_n_p142_Fioressi
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic BFS method
Metallic nanocages
Nanoframes
Platinum
Atomistic modeling
BFS method
Critical temperatures
Monte carlo atomistic simulations
Nanocages
Nanoframes
Quantum methods
Structural factor
Monte Carlo methods
spellingShingle BFS method
Metallic nanocages
Nanoframes
Platinum
Atomistic modeling
BFS method
Critical temperatures
Monte carlo atomistic simulations
Nanocages
Nanoframes
Quantum methods
Structural factor
Monte Carlo methods
Mosca, Hugo Osvaldo
Del Grosso, Mariela Fernanda
Atomistic modeling of Ag, Au, and Pt nanoframes
topic_facet BFS method
Metallic nanocages
Nanoframes
Platinum
Atomistic modeling
BFS method
Critical temperatures
Monte carlo atomistic simulations
Nanocages
Nanoframes
Quantum methods
Structural factor
Monte Carlo methods
description Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original shape to either a cluster of nanoparticles after all sides of the frame are broken, or to a large cluster after collapsing onto its own internal void. The mechanisms by which these two behaviors take place are discussed within the framework of a simple rule which determines the relationship between the structural factors (side and width) that characterize the transition from one to the other. © 2014 Elsevier B.V. All rights reserved.
author Mosca, Hugo Osvaldo
Del Grosso, Mariela Fernanda
author_facet Mosca, Hugo Osvaldo
Del Grosso, Mariela Fernanda
author_sort Mosca, Hugo Osvaldo
title Atomistic modeling of Ag, Au, and Pt nanoframes
title_short Atomistic modeling of Ag, Au, and Pt nanoframes
title_full Atomistic modeling of Ag, Au, and Pt nanoframes
title_fullStr Atomistic modeling of Ag, Au, and Pt nanoframes
title_full_unstemmed Atomistic modeling of Ag, Au, and Pt nanoframes
title_sort atomistic modeling of ag, au, and pt nanoframes
publishDate 2015
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09270256_v98_n_p142_Fioressi
http://hdl.handle.net/20.500.12110/paper_09270256_v98_n_p142_Fioressi
work_keys_str_mv AT moscahugoosvaldo atomisticmodelingofagauandptnanoframes
AT delgrossomarielafernanda atomisticmodelingofagauandptnanoframes
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