On the Stability of Ag/Au(111) Expanded Structures

Autor:	Ezequiel P. M. Leiva, S. A. Dassie and, Cristián G. Sánchez
Rok vydání:	2002
Předmět:	Chemistry Binding energy Surfaces and Interfaces Substrate (electronics) Condensed Matter Physics Ion Crystallography Adsorption Chemical physics Phase (matter) Electric field Monolayer Electrochemistry General Materials Science Work function Spectroscopy
Zdroj:	Langmuir. 18:6628-6632
ISSN:	1520-5827 0743-7463
DOI:	10.1021/la020312a
Popis:	In this work, we present a series of first-principles calculations on the stability of expanded silver monolayers adsorbed on a gold (111) substrate. The main result obtained is that none of the structures that are more expanded than the (1 × 1) compact monolayer is more stable than the bulk silver phase and hence should not be underpotentially deposited. A possible explanation for the discrepancy between experimental and theoretical results may lie in the strong work function shift generated by the adsorbate. This may produce large electric fields at the interface, modifying the binding energy and promoting anion adsorption through a negative shift in the potential of zero charge.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4d0ed31823c789f3f0d0091ddf92fc72 https://doi.org/10.1021/la020312a Zobrazit plný text záznamu