The role of molecular dipole moment, charge transfer, and Pauli repulsion in determining the work-function change (??) at organic-metal interfaces has been elucidated by a combined experimental and theoretical study of (CH3S)2/Au(111) and CH3S/Au(111). Comparison between experiment and theory allows us to determine the origin of the interface dipole layer for both phases. For CH3S/Au(111), ?? can be ascribed almost entirely to the dipole moment of the CH3S layer. For (CH3S)2/Au(111), a Pauli repulsion mechanism occurs. The implications of these results on the interpretation of ?? in the presence of strongly and weakly adsorbed molecules is discussed.
Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study
Biagi R;De Renzi V;Del Pennino U;
2005
Abstract
The role of molecular dipole moment, charge transfer, and Pauli repulsion in determining the work-function change (??) at organic-metal interfaces has been elucidated by a combined experimental and theoretical study of (CH3S)2/Au(111) and CH3S/Au(111). Comparison between experiment and theory allows us to determine the origin of the interface dipole layer for both phases. For CH3S/Au(111), ?? can be ascribed almost entirely to the dipole moment of the CH3S layer. For (CH3S)2/Au(111), a Pauli repulsion mechanism occurs. The implications of these results on the interpretation of ?? in the presence of strongly and weakly adsorbed molecules is discussed.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
