Doping-Induced Electron Transfer at Organic/Oxide Interfaces: Direct Evidence from Infrared Spectroscopy.

Charge transfer at organic/inorganic interfaces critically influences the properties of molecular adlayers. Although for metals such charge transfers are well documented by experimental and theoretical results, in the case of semiconductors, clear and direct evidence for a transfer of electrons or holes from oxides with their typically high ionization energy is missing. Here, we present data from infrared reflection-absorption spectroscopy demonstrating that despite a high ionization energy, electrons are transferred from ZnO into a prototype strong molecular electron acceptor, hexafluoro-tetracyano-naphthoquinodimethane (F-TCNNQ).

Fractional and Integer Charge Transfer at Semiconductor/Organic Interfaces: The Role of Hybridization and Metallicity.

Inorganic/organic interfaces show two phenomenologically different types of charge transfer: On inert substrates, charge is localized, leading to a coexistence of neutral and charged molecules. Conversely, on metals, which have more available charge carriers and a larger propensity to hybridize, the charge is homogeneously delocalized. In this contribution, we use hybrid density functional theory to study the adsorption of the strong electron acceptor F4TCNQ on ZnO(10-10) as a function of the substrate's doping concentration.