Computational Characterization of the Intermixing of Iron Triade (Fe, Co, and Ni) Surfaces and Sub-nanometric Clusters with Atomic Gold

[Image: see text] Dispersion-corrected density functional theory (DFT-D3) is applied to model iron triade (Fe, Co, and Ni) surfaces upon exchange of surface atoms with atomic gold. One first goal is to analyze the contact problem at the triade surface–Au interface and to correlate our findings with...

Descripción completa

Detalles Bibliográficos
Autores principales: López-Caballero, Patricia, Garsed, Ricardo, de Lara-Castells, María Pilar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8223428/
https://www.ncbi.nlm.nih.gov/pubmed/34179662
http://dx.doi.org/10.1021/acsomega.1c02116

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8223428/
https://www.ncbi.nlm.nih.gov/pubmed/34179662
http://dx.doi.org/10.1021/acsomega.1c02116

Ejemplares similares