Carbonate formation on $p(4\ifmmode\times\else\texttimes\fi{}4)$-O/Ag(111)

Carbonate formation on $p (4 \times 4)$ -O/Ag(111)

J. Knudsen, N. M. Martin, E. Grånäs, S. Blomberg, J. Gustafson, J. N. Andersen, E. Lundgren, S. Klacar, A. Hellman, and H. Grönbeck

Phys. Rev. B 84, 115430 – Published 21 September 2011

Abstract

High-resolution core-level spectroscopy and density-functional theory calculations have been used to investigate CO adsorption on the $p (4 \times 4)$ structure of oxidized Ag(111). CO adsorption with subsequent carbonate formation was observed at 100 K. The experimental results are consistent with calculations that reveal low activation barriers to form CO $_{2}$ and CO $_{3}^{2 -}$ from adsorbed CO. On the basis of a good match between calculated and experimental shifts in the Ag 3d and O 1s core-level binding energies, a model for a monolayer of carbonates on $p (4 \times 4)$ -O/Ag(111) is proposed.