Influences of H on the Adsorption of a Single Ag Atom on Si(111)-7 × 7 Surface

The adsorption of a single Ag atom on both clear Si(111)-7 × 7 and 19 hydrogen terminated Si(111)-7 × 7 (hereafter referred as 19H-Si(111)-7 × 7) surfaces has been investigated using first-principles calculations. The results indicated that the pre-adsorbed H on Si surface altered the surface electr...

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Detalles Bibliográficos
Autores principales: Lin, Xiu-Zhu, Li, Jing, Wu, Qi-Hui
Formato: Texto
Lenguaje:English
Publicado: Springer 2009
Materias:
Nano Express
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894020/
https://www.ncbi.nlm.nih.gov/pubmed/20652141
http://dx.doi.org/10.1007/s11671-009-9456-x
Descripción
Sumario:The adsorption of a single Ag atom on both clear Si(111)-7 × 7 and 19 hydrogen terminated Si(111)-7 × 7 (hereafter referred as 19H-Si(111)-7 × 7) surfaces has been investigated using first-principles calculations. The results indicated that the pre-adsorbed H on Si surface altered the surface electronic properties of Si and influenced the adsorption properties of Ag atom on the H terminated Si surface (e.g., adsorption site and bonding properties). Difference charge density data indicated that covalent bond is formed between adsorbed Ag and H atoms on 19H-Si(111)-7 × 7 surface, which increases the adsorption energy of Ag atom on Si surface.

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