The browser you are using is not supported by this website. All versions of Internet Explorer are no longer supported, either by us or Microsoft (read more here: https://www.microsoft.com/en-us/microsoft-365/windows/end-of-ie-support).

Please use a modern browser to fully experience our website, such as the newest versions of Edge, Chrome, Firefox or Safari etc.

Theoretical and experimental comparison of SnPc, PbPc, and CoPc adsorption on Ag(111)

På svenska

Author

  • J. D. Baran
  • J. A. Larsson
  • R. A. J. Woolley
  • Yan Cong
  • P. J. Moriarty
  • A. A. Cafolla
  • Karina Schulte
  • V. R. Dhanak

Summary, in English

A combination of normal-incidence x-ray standing-wave (NIXSW) spectroscopy, x-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and density-functional theory (DFT) has been used to investigate the interaction of a number of phthalocyanine molecules (specifically, SnPc, PbPc, and CoPc) with the Ag(111) surface. The metal-surface distances predicted by the DFT calculations for SnPc/Ag(111) (2.48 angstrom) and CoPc/Ag(111) (2.88 angstrom) are in good agreement with our NIXSW experimental results for these systems (2.31 +/- 0.09 and 2.90 +/- 0.05 angstrom, respectively). Good agreement is also found between calculated partial density-of-states plots and STM images of CoPc on Ag(111). Although the DFT and Pb 4f NIXSW results for the Pb-Ag(111) distance are similarly in apparently good agreement, the Pb 4f core-level data suggest that a chemical reaction between PbPc and Ag(111) occurs due to the annealing procedure used in our experiments and that the similarity of the DFT and Pb 4f NIXSW values for the Pb-Ag(111) distance is likely to be fortuitous. We interpret the Pb 4f XPS data as indicating that the Pb atom can detach from the PbPc molecule when it is adsorbed in the "Pb-down" position, leading to the formation of a Pb-Ag alloy and the concomitant reduction in Pb from a Pb2+ state (in bulklike films of PbPc) to Pb-0. In contrast to SnPc, neither PbPc nor CoPc forms a well-ordered monolayer on Ag(111) via the deposition and annealing procedures we have used. Our DFT calculations show that each of the phthalocyanine molecules donate charge to the silver surface, and that back donation from Ag to the metal atom (Co, Sn, or Pb) is only significant for CoPc.

Department/s

Publishing year

2010

Language

English

Publication/Series

Physical Review B (Condensed Matter and Materials Physics)

Volume

81

Issue

7

Document type

Journal article

Publisher

American Physical Society

Topic

  • Physical Sciences
  • Natural Sciences

Status

Published

ISBN/ISSN/Other

  • ISSN: 1098-0121