The underpotential deposition that should not be: Cu(1 × 1) on Au(111)

VÉLEZ, P.; CUESTA, A.; LEIVA, E.P.M.; MACAGNO, V.A.

ELSEVIER SCIENCE INC

Lugar: Amsterdam; Año: 2012 vol. 25 p. 54 - 54

nderpotential deposition of copper on Au(111) is analyzed in the light of first-principles calculations. The existence of a 1 × 1 Cu monolayer on Au(111) at underpotentials can be only understood taking into account the free energy excess delivered by the adsorption of sulfate anions. While a naked copper pseudomorphic monolayer results thermodynamically less stable than bulk copper, accounting for the interaction with sulfate ions delivers an underpotential shift which is comparable with the experimental value.