Tuesday, 24 May 2005 - 1:45 PM

This presentation is part of: Electronic Structure in Chemistry II

Organic molecules on the Si(100) surface: theory of reactivity and electronic conductance

Doug Doren, Jeff Frey, and Zareh Darakjian. University of Delaware, Newark, DE

Organic molecules on semiconductor surfaces present new opportunities for studying molecular electronics. With a range of attachment chemistry available, and the ability to alter electronic states of the substrate as well as the adsorbed molecule, these systems allow new approaches to understand the factors that control conductance through molecules and the molecule-surface interface. This talk will review the current understanding of selectivity in cycloaddition reactions of organics on Si(100) surfaces. Theoretical simulations of STM images will be used to relate specific prodcut structures to the observed images. The factors that might be used to control electron tranport through molecules on semiconductors will be discussed, and new calculations of electronic conductance will be used to illustrate the relationship of molecular structure to electronic properties of the molecules.

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