Metal Work-Function Changes Induced by Organic Adsorbates: A Combined Experimental and Theoretical Study
- 22 July 2005
- journal article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 95 (4), 046804
- https://doi.org/10.1103/physrevlett.95.046804
Abstract
The role of molecular dipole moment, charge transfer, and Pauli repulsion in determining the work-function change (Deltaphi) at organic-metal interfaces has been elucidated by a combined experimental and theoretical study of (CH(3)S)(2)/Au(111) and CH(3)S/Au(111). Comparison between experiment and theory allows us to determine the origin of the interface dipole layer for both phases. For CH(3)S/Au(111), Deltaphi can be ascribed almost entirely to the dipole moment of the CH(3)S layer. For (CH(3)S)(2)/Au(111), a Pauli repulsion mechanism occurs. The implications of these results on the interpretation of Deltaphi in the presence of strongly and weakly adsorbed molecules is discussed.Keywords
This publication has 23 references indexed in Scilit:
- Bosons as the Origin for Giant Magnetic Properties of Organic MonolayersPhysical Review Letters, 2004
- Electronic structure and electrical properties of interfaces between metals and π‐conjugated molecular filmsJournal of Polymer Science Part B: Polymer Physics, 2003
- New Insights for Self-Assembled Monolayers of Organothiols on Au(111) Revealed by Scanning Tunneling MicroscopyThe Journal of Physical Chemistry B, 2003
- Magnetism induced by the organization of self-assembled monolayersThe Journal of Chemical Physics, 2003
- Adsorption of Xe Atoms on Metal Surfaces: New Insights from First-Principles CalculationsPhysical Review Letters, 2003
- Exchangelike Effects for Closed-Shell Adsorbates: Interface Dipole and Work FunctionPhysical Review Letters, 2002
- Characterization of the Interface Dipole at Organic/ Metal InterfacesJournal of the American Chemical Society, 2002
- Thiols and Disulfides on the Au(111) Surface: The Headgroup−Gold InteractionJournal of the American Chemical Society, 2000
- Determination of the headgroup-gold(111) potential surface for alkanethiol self-assembled monolayers by ab initio calculationChemical Physics Letters, 1998
- Formation and Structure of Self-Assembled MonolayersChemical Reviews, 1996