Journal
NATURE COMMUNICATIONS
Volume 10, Issue -, Pages -Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/s41467-019-12526-6
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Funding
- European Union Horizon 2020 research and innovation programme [646176]
- European Union Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant [795206]
- Ministry of Science, Research and the Arts Baden-Wurttemberg
- Federal Ministry of Education and Research
- KIT-Publication Fund of the Karlsruhe Institute of Technology
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Conductivity doping of inorganic and organic semiconductors enables a fantastic variety of highly-efficient electronic devices. While well understood for inorganic materials, the mechanism of doping-induced conductivity and Fermi level shift in organic semiconductors remains elusive. In microscopic simulations with full treatment of many-body Coulomb effects, we reproduce the Fermi level shift in agreement with experimental observations. We find that the additional disorder introduced by doping can actually compensate the intrinsic disorder of the material, such that the total disorder remains constant or is even reduced at doping molar ratios relevant to experiment. In addition to the established dependence of the doping-induced states on the Coulomb interaction in the ionized host-dopant pair, we find that the position of the Fermi level and electrical conductivity is controlled by disorder compensation. By providing a quantitative model for doping in organic semiconductors we enable the predictive design of more efficient redox pairs.
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