Interface characteristics at an organic/metal junction: pentacene on Cu stepped surfaces

Accommodation and diffusion of Cu deposited on flat and stepped Cu(111) surfaces.

Polarization at the gold/pentacene interface

Direct and inverse photoemission spectroscopy are used to investigate the electronic polarization P = P + P induced by the pentacene anion and cation at the Au/pentacene interface. Based on the spectroscopic measurements and on previously published calculations, we determine that the total polarization at the metal interface is approximately 0.67 eV larger than at the surface of the pentacene f...

Epitaxially Grown Films of Standing and Lying Pentacene Molecules on Cu(110) Surfaces

This study investigates epitaxially oriented pentacene films grown on Cu(110) surfaces crystallizing either in the "thin film" phase with standing molecules or in the "single crystal" structure with molecules lying with their long axes parallel to the substrate.

Density functional theory study of beta-hydride elimination of ethyl on flat and stepped Cu surfaces.

Plane wave density functional theory calculations have been used to characterize the transition states for beta-hydride elimination of ethyl on Cu(100), Cu(110), Cu(111), and Cu(221). The reaction rates predicted by these calculations have been compared to experiments by including tunneling corrections within harmonic transition state theory. Tunneling corrections are found to be important in d...

Structural and Electrostatic Complexity at a Pentacene/Insulator Interface

The advancement of organic electronics for applications in solar-energy conversion, printed circuitry, displays, and solidstate lighting depends upon the optimization of a variety of organic-semiconductor interfaces. Organic-semiconductor/ insulator (O/I) interfaces, in particular, are critical to the operation of organic thin-film transistors (OTFTs) currently being developed for printed flexi...