AVS 52nd International Symposium
    Surface Science Tuesday Sessions
       Session SS-TuP

Paper SS-TuP14
Molecular View of the Selforganization Processes on Silicon: Experimental and Computational Studies of Nitrobenzene and Hexafluoroacetylacetone on Si(100)-2x1

Tuesday, November 1, 2005, 4:00 pm, Room Exhibit Hall C&D

Session: Surface Science Poster Session
Presenter: L.P. Méndez De Leo, University of Delaware
Authors: L.P. Méndez De Leo, University of Delaware
L. Pirolli, University of Delaware
A.V. Teplyakov, University of Delaware
Correspondent: Click to Email
Molecular selforganization on semiconductor surfaces bears a variety of future applications: from deposition processes to molecular electronics. Here we present two different reactions on Si(100)-2x1 surface studied by an array of surface analytical techniques and by computational methods. The reaction of nitrobenzene on Si(100) surface is a prototypical model reaction for understanding the interaction of bifunctional molecules with the surface and for directing self-organization processes at cryogenic temperatures. The preferred reaction of the nitro-group has been studied previously and, along with the exceptional thermal stability of the resulting monolayer, provides an opportunity to manipulate surface reactions that have a long list of possible pathways. Computational analysis together with the vibrational studies suggest that only a few types of surface bonding are possible in this reaction and the interaction between the neighboring chemisorbed nitrobenzenes lay a groundwork for studies of electron transfer processes involving the @pi@-@pi@ interaction of the phenyl groups. Hexafluoroacetylacetone (hfac) is a common ligand in chemical vapor deposition processes of copper. The interaction of this ligand with the Si(100)-2x1 surface is of paramount importance for the deposition processes, at the same time, it possesses several functionalities and the utilization of the preferential binding of these functional groups to the surface can be used in the future not only to modify the interactions of the organometallic precursors with the substrate but also to understand the general rules in functionalization of the surface with complex multifunctional molecules. Just like in the case of nitrobenzene, computational methods were used in conjunction with the experimental studies to elucidate the mechanism of hfac interaction with Si(100)-2x1.