Tuesday, November 17, 2009, 11:00 am — Bldg. 735 - Seminar Rm, 2nd floor
Nanostructures are often distinguished by their large surface-to- volume ratios that, upon integration into devices, can lead to a high density of nanoscale interfaces. The impact of these interfaces on device function is, in many cases, not yet well understood. In this talk, I will describe recent theoretical efforts, using first- principles density functional theory and many-body perturbation theory, towards fundamental understanding of interfacial electronic structure - and its relationship to measured transport and spectroscopy - at nanoscale metal-organic and organic-organic interfaces. Examples to be discussed are the conductance of amine- and pyridine-linked molecular junctions; chemical contributions to surface- enhanced Raman scattering for benzene thiol on gold; and preliminary work on charge separation and optical absorption processes for covalently-joined donor-acceptor organic systems.
Hosted by: Mark Hybertsen
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