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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.
Renzi et al. (2005) studied this question.