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

PATRICIO VELEZ; A. CUESTA; E.P.M. LEIVA; MACAGNO, VICENTE ANTONIO

ELECTROCHEMISTRY COMMUNICATIONS

ELSEVIER SCIENCE INC

Lugar: Amsterdam; Año: 2012 vol. 25 p. 54 - 57

1388-2481

Underpotential deposition of copper on Au(111) is analyzed in the light of first-principles calculations. The existence of a 1×1 Cumonolayer 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 pseudomorphicmonolayer 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.