|
Funding Agency: FWF (P27868-N36)
Duration: June 2015 - May 2018
Project Leader: Oliver T. Hofmann
Associated Students:
Simon Simon
Elisabeth Wruss
|
Abstract
Interfaces between inorganic materials and organic molecules are highly interesting from the viewpoint of fundamental science, interesting since the flexibility of organic chemistry allows systematically tuning the strength of the interaction between the two components. While for unreactive, semiconducting substrates, the charge in the organic material is found to be strongly localized, for weakly reactive, metallic substrates, the charge is found to be completely delocalized. At present unclear, however, is how, e.g., degenerately doped semiconductors, which show quasi-metallic conductivity, fit into this classification.
In this project, we will study by means of first principle calculations (density functional theory and beyond) (a) how the localization of charge is affected for a given interface as the nature and strength of the substrate/adsorbate interaction is gradually modified, and (b) how this affects observables at the interface. To this aim, we will investigate the adsorption of small, conjugated organic molecules on semiconductors with different doping concentrations and metals which reactivity will be modified through alloying.
Recent talks
Brazil Material Research Society, Oct 2015 (pdf version), by Oliver T. Hofman
German Physical Society (Invited Talk), Mar 2016 (pdf version), by Oliver T. Hofmann
HIOS young researcher meeting, Apr 2016 (pdf version), by Simon Erker
Publications
soon to come
|
|
