Electrostatics do the trick

When inserting an ultrathin dielectric between metal electrode and organic semiconductor, charge carriers (shown here for a positively charged holes in red) are, counter intuitively, more efficiently extracted from their transport level (blue) in the organic to the Fermi level (black) in the metal than without the interlayer.

When inserting an ultrathin dielectric between metal electrode and organic semiconductor, charge carriers (shown here for a positively charged holes in red) are, counter intuitively, more efficiently extracted from their transport level (blue) in the organic to the Fermi level (black) in the metal than without the interlayer. © M. Oehzelt/HZB

A simple model describes what happens between organic semiconductors and metals

Organic semiconductors allow for flexible displays (OLEDs), solar cells (OPVCs), and other interesting applications. One common problem in these devices, however, is the interface between the metallic contacts and the organic semiconductor material, where undesirable losses occur. Now Dr. Martin Oehzelt has shown what these losses between the metal and the organic semiconductors depend upon and how to minimize them. In particular, his model also explains why a thin, electrically insulating layer between the two materials can even facilitate the transition of charge carriers. His results have recently been published in Nature Communications.

Currently, there are many different approaches describing the interface between organic semiconductor materials and metallic contacts. These somewhat contradictory theories, none of which is universally valid for all cases, have now been unified by Oehzelt and developed into a single coherent model based on the electrostatic potential caused by the charge carriers in the metal and the organic semiconductor. “I calculated the impact of the charge carrier distribution on the electronic states at the interface and how these changes feed back onto the charge carrier distribution”, he explains. Oehzelt is presently conducting research with Dr. Georg Heimel as a postdoc for Prof. Norbert Koch, who works at the Humboldt-Universität zu Berlin and the Helmholtz-Zentrum Berlin.

Such calculations have never been so comprehensively carried out before. Performing them, Oehzelt states: “it was surprising to me that the quantum physical level was not that important. The electrostatic effects predominated! The agreement between our model and the experimental data were astonishing.” On the example of pentacene, a common organic semiconductor, Oehzelt has quantitatively checked the model’s predictions for interface losses.

The energy distribution of the electronic states in organic semiconductors determines the minimum energy barrier the charge carriers have to overcome in transitioning from or into the metal. The calculation demonstrates that the shape of this energy barrier can vary, from a step-function to slow, continuously rising curves that lead to considerably lower losses. The latter can be achieved by introducing an extremely thin insulating layer between the organic semiconductor and the metal. Contrary to the general expectation, the introduction of an insulator thus improves the electrical contact.

The results of this work could notably simplify optimization of interfaces and contacts and, thereby, the development of more efficient organic electronic devices.

The work has recently been published in  Nature Communications:

doi 10.1038/ncomms5174
 
 

arö

  • Copy link

You might also be interested in

  • Battery research with the HZB X-ray microscope
    Science Highlight
    18.11.2024
    Battery research with the HZB X-ray microscope
    New cathode materials are being developed to further increase the capacity of lithium batteries. Multilayer lithium-rich transition metal oxides (LRTMOs) offer particularly high energy density. However, their capacity decreases with each charging cycle due to structural and chemical changes. Using X-ray methods at BESSY II, teams from several Chinese research institutions have now investigated these changes for the first time with highest precision: at the unique X-ray microscope, they were able to observe morphological and structural developments on the nanometre scale and also clarify chemical changes.
  • BESSY II: New procedure for better thermoplastics
    Science Highlight
    04.11.2024
    BESSY II: New procedure for better thermoplastics
    Bio-based thermoplastics are produced from renewable organic materials and can be recycled after use. Their resilience can be improved by blending bio-based thermoplastics with other thermoplastics. However, the interface between the materials in these blends sometimes requires enhancement to achieve optimal properties. A team from the Eindhoven University of Technology in the Netherlands has now investigated at BESSY II how a new process enables thermoplastic blends with a high interfacial strength to be made from two base materials: Images taken at the new nano station of the IRIS beamline showed that nanocrystalline layers form during the process, which increase material performance.
  • Hydrogen: Breakthrough in alkaline membrane electrolysers
    Science Highlight
    28.10.2024
    Hydrogen: Breakthrough in alkaline membrane electrolysers
    A team from the Technical University of Berlin, HZB, IMTEK (University of Freiburg) and Siemens Energy has developed a highly efficient alkaline membrane electrolyser that approaches the performance of established PEM electrolysers. What makes this achievement remarkable is the use of inexpensive nickel compounds for the anode catalyst, replacing costly and rare iridium. At BESSY II, the team was able to elucidate the catalytic processes in detail using operando measurements, and a theory team (USA, Singapore) provided a consistent molecular description. In Freiburg, prototype cells were built using a new coating process and tested in operation. The results have been published in the prestigious journal Nature Catalysis.