Surface state engineering of molecule-molecule interactions

Abstract

Engineering the electronic structure of organics through interface manipulation, particularly the interface dipole and the barriers to charge carrier injection, is of essential importance to improved organic devices. This requires the meticulous fabrication of desired organic structures by precisely controlling the interactions between molecules. The well-known principles of organic coordination chemistry cannot be applied without proper consideration of extra molecular hybridization, charge transer and dipole formation at the interfaces. Here we identify the interplay between energy level alignment, charge transfer, surface dipole and charge pillow effect and show how these effects collectively determine the net force between adsorbed porphyrin 2H-TPP on Cu(111). We show that the forces between supported porphyrins can be altered by controlling the amount of charge transferred across the interface accurately through the relative alignment of molecular electronic levels with respect to the Shockley surface state of the metal substrate, and hence govern the self-assembly of the molecules.

References in corpus (5)

• Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level
• Long-range repulsive interaction between TTF molecules on a metal surface induced by charge transfer
• First-principles study of the dipole layer formation at metal-organic interfaces
• Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)
• Surface dipole of F4TCNQ films: Collective charge transfer and dipole-dipole repulsion in submonolayers

Cited by in corpus (3)

• Interfacial charge rearrangement and intermolecular interactions: Density-functional theory study of free-base porphine adsorbed on Ag(111) and Cu(111)
• Interplay of hydrogen bonding and molecule-substrate interaction in self-assembled adlayer structures of a hydroxyphenyl-substituted porphyrin
• Photoelectron spectroscopy investigation of the temperature-induced deprotonation and substrate-mediated hydrogen transfer in a hydroxyphenyl-substituted porphyrin