Van der Waals (vdW) interactions, level shifts, crossings, electron transfer or electron rearrangements are key elements in the formation of the surface chemical bond. In this talk I will discuss that and how these components act differently for the adsorption of organic molecules at metal and semiconductor (or insulator) substrates.Examples to be discussed include benzene molecules on (111) surfaces of Ag, Pd, Rh, Ir, and Au, and the adsorption of a strong molecular electron acceptor at semiconductor/insulator metal-oxide surfaces (example: tetrafluoro-tetracyanoquinodimethane, F4TCNQ at ZnO surfaces). For the latter we show that the work function increases notably (up to ?F=2 eV), even stronger than for the same molecule at metal surfaces. Yet, the cause of this change is qualitatively different at metal and at semiconductor surfaces.

Adsorption of organic molecules at metal and metal-oxide surfaces:Theoretical challenges, concepts, and insights

245th National Meeting (2013)

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