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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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_09270256_v98_n_p142_Fioressi |
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todo:paper_09270256_v98_n_p142_Fioressi2023-10-03T15:46:54Z Atomistic modeling of Ag, Au, and Pt nanoframes Fioressi, S.E. Bacelo, D.E. Bozzolo, G. Mosca, H.O. Del Grosso, M.F. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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 Fioressi, S.E. Bacelo, D.E. Bozzolo, G. Mosca, H.O. Del Grosso, M.F. 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. |
| format |
JOUR |
| author |
Fioressi, S.E. Bacelo, D.E. Bozzolo, G. Mosca, H.O. Del Grosso, M.F. |
| author_facet |
Fioressi, S.E. Bacelo, D.E. Bozzolo, G. Mosca, H.O. Del Grosso, M.F. |
| author_sort |
Fioressi, S.E. |
| 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 |
| url |
http://hdl.handle.net/20.500.12110/paper_09270256_v98_n_p142_Fioressi |
| work_keys_str_mv |
AT fioressise atomisticmodelingofagauandptnanoframes AT bacelode atomisticmodelingofagauandptnanoframes AT bozzolog atomisticmodelingofagauandptnanoframes AT moscaho atomisticmodelingofagauandptnanoframes AT delgrossomf atomisticmodelingofagauandptnanoframes |
| _version_ |
1807315406122123264 |