Atomistic modeling of Pd/Cu(100) surface alloy formation
A straightforward modeling approach, using the Bozzolo-Ferrante-Smith (BFS) method for alloys, is introduced and applied to the formation process of Pd/Cu(100) surface alloys. Ranging from the deposition of one single Pd atom to the formation of a c(2 × 2) structure, the proposed methodology helps e...
| Publicado: |
2000
|
|---|---|
| Materias: | |
| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00396028_v459_n3_p365_Garces http://hdl.handle.net/20.500.12110/paper_00396028_v459_n3_p365_Garces |
| Aporte de: |
| id |
paper:paper_00396028_v459_n3_p365_Garces |
|---|---|
| record_format |
dspace |
| spelling |
paper:paper_00396028_v459_n3_p365_Garces2023-06-08T15:03:36Z Atomistic modeling of Pd/Cu(100) surface alloy formation Computer simulation Copper Deposition Mathematical models Morphology Surface roughness Surface structure Low index single crystal surfaces Surface defects Palladium alloys A straightforward modeling approach, using the Bozzolo-Ferrante-Smith (BFS) method for alloys, is introduced and applied to the formation process of Pd/Cu(100) surface alloys. Ranging from the deposition of one single Pd atom to the formation of a c(2 × 2) structure, the proposed methodology helps explain all the experimentally observed features for coverages of up to 0.5 ML. In excellent agreement with all the known experimental facts, the approach sheds light onto the exchange mechanism between adatoms and substrate atoms, interdiffusion to subsurface layers, the formation of ordered structures and Cu islands and the c(2 × 2) structure at 0.5 ML Pd coverage. 2000 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00396028_v459_n3_p365_Garces http://hdl.handle.net/20.500.12110/paper_00396028_v459_n3_p365_Garces |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Computer simulation Copper Deposition Mathematical models Morphology Surface roughness Surface structure Low index single crystal surfaces Surface defects Palladium alloys |
| spellingShingle |
Computer simulation Copper Deposition Mathematical models Morphology Surface roughness Surface structure Low index single crystal surfaces Surface defects Palladium alloys Atomistic modeling of Pd/Cu(100) surface alloy formation |
| topic_facet |
Computer simulation Copper Deposition Mathematical models Morphology Surface roughness Surface structure Low index single crystal surfaces Surface defects Palladium alloys |
| description |
A straightforward modeling approach, using the Bozzolo-Ferrante-Smith (BFS) method for alloys, is introduced and applied to the formation process of Pd/Cu(100) surface alloys. Ranging from the deposition of one single Pd atom to the formation of a c(2 × 2) structure, the proposed methodology helps explain all the experimentally observed features for coverages of up to 0.5 ML. In excellent agreement with all the known experimental facts, the approach sheds light onto the exchange mechanism between adatoms and substrate atoms, interdiffusion to subsurface layers, the formation of ordered structures and Cu islands and the c(2 × 2) structure at 0.5 ML Pd coverage. |
| title |
Atomistic modeling of Pd/Cu(100) surface alloy formation |
| title_short |
Atomistic modeling of Pd/Cu(100) surface alloy formation |
| title_full |
Atomistic modeling of Pd/Cu(100) surface alloy formation |
| title_fullStr |
Atomistic modeling of Pd/Cu(100) surface alloy formation |
| title_full_unstemmed |
Atomistic modeling of Pd/Cu(100) surface alloy formation |
| title_sort |
atomistic modeling of pd/cu(100) surface alloy formation |
| publishDate |
2000 |
| url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00396028_v459_n3_p365_Garces http://hdl.handle.net/20.500.12110/paper_00396028_v459_n3_p365_Garces |
| _version_ |
1768542402650308608 |