On the structural stability of mono- and binary metallic nanocages
This work is devoted to the problem of thermal stability of mono- and binary metal nanocages consisting of gold and silver atoms. The number of atoms in the studied nanocages was 1744, 2150, 2470 and 3370 atoms. The characteristic size (outer diameter) of nanocages is from 4,4 to 5,1 nm. Interatomic...
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Format: | Article |
Language: | Russian |
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Tver State University
2023-12-01
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Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
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Online Access: | https://physchemaspects.ru/2023/doi-10-26456-pcascnn-2023-15-602/?lang=en |
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author | D.N. Sokolov O.V. Polev V.S. Myasnichenko K.G. Savina N.Yu. Sdobnyakov |
author_facet | D.N. Sokolov O.V. Polev V.S. Myasnichenko K.G. Savina N.Yu. Sdobnyakov |
author_sort | D.N. Sokolov |
collection | DOAJ |
description | This work is devoted to the problem of thermal stability of mono- and binary metal nanocages consisting of gold and silver atoms. The number of atoms in the studied nanocages was 1744, 2150, 2470 and 3370 atoms. The characteristic size (outer diameter) of nanocages is from 4,4 to 5,1 nm. Interatomic interaction was described by the tight-binding potential. Analysis of the caloric dependences of the specific potential part of the internal energy made it possible to identify the temperature regions of «healing» of cavities (pores) on the faces and in the internal regions (cores) of nanocages. An example of the structural collapse of a nanocage is described in detail, as a result of which crystalline and quasicrystalline phases are identified in the nanoparticle core for a temperature corresponding to melting for the chosen size. Segregation in a binary Au-Ag nanocage before and after its collapse was also studied. |
first_indexed | 2024-03-09T05:19:27Z |
format | Article |
id | doaj.art-a6e7cfdcba79401fa610565e17af2e94 |
institution | Directory Open Access Journal |
issn | 2226-4442 2658-4360 |
language | Russian |
last_indexed | 2024-03-09T05:19:27Z |
publishDate | 2023-12-01 |
publisher | Tver State University |
record_format | Article |
series | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
spelling | doaj.art-a6e7cfdcba79401fa610565e17af2e942023-12-03T12:41:58ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602023-12-011560261310.26456/pcascnn/2023.15.602On the structural stability of mono- and binary metallic nanocagesD.N. Sokolov0O.V. Polev1V.S. Myasnichenko2K.G. Savina3N.Yu. Sdobnyakov4Tver State University, Tver, RussiaTver State University, Tver, RussiaTver State University, Tver, RussiaTver State University, Tver, RussiaTver State University, Tver, RussiaThis work is devoted to the problem of thermal stability of mono- and binary metal nanocages consisting of gold and silver atoms. The number of atoms in the studied nanocages was 1744, 2150, 2470 and 3370 atoms. The characteristic size (outer diameter) of nanocages is from 4,4 to 5,1 nm. Interatomic interaction was described by the tight-binding potential. Analysis of the caloric dependences of the specific potential part of the internal energy made it possible to identify the temperature regions of «healing» of cavities (pores) on the faces and in the internal regions (cores) of nanocages. An example of the structural collapse of a nanocage is described in detail, as a result of which crystalline and quasicrystalline phases are identified in the nanoparticle core for a temperature corresponding to melting for the chosen size. Segregation in a binary Au-Ag nanocage before and after its collapse was also studied.https://physchemaspects.ru/2023/doi-10-26456-pcascnn-2023-15-602/?lang=enatomistic simulationtight binding potentialmetallic nanocagesporеsthermal effectsstability/instabilitystructure formation |
spellingShingle | D.N. Sokolov O.V. Polev V.S. Myasnichenko K.G. Savina N.Yu. Sdobnyakov On the structural stability of mono- and binary metallic nanocages Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов atomistic simulation tight binding potential metallic nanocages porеs thermal effects stability/instability structure formation |
title | On the structural stability of mono- and binary metallic nanocages |
title_full | On the structural stability of mono- and binary metallic nanocages |
title_fullStr | On the structural stability of mono- and binary metallic nanocages |
title_full_unstemmed | On the structural stability of mono- and binary metallic nanocages |
title_short | On the structural stability of mono- and binary metallic nanocages |
title_sort | on the structural stability of mono and binary metallic nanocages |
topic | atomistic simulation tight binding potential metallic nanocages porеs thermal effects stability/instability structure formation |
url | https://physchemaspects.ru/2023/doi-10-26456-pcascnn-2023-15-602/?lang=en |
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