Artículos
Título:
On the stability of the expanded structures
Autor/es:
C.G. SÁNCHEZ; S.A. DASSIE; E.P.M. LEIVA
Editorial:
AMER CHEMICAL SOC
Referencias:
Lugar: Washington; Año: 2002 vol. 18 p. 6628 - 6628
Resumen:
n 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.