Controlling doping efficiency in organic semiconductors by tuning short-range overscreening

Jonas Armleder, Tobias Neumann, Franz Symalla, Timo Strunk, Jorge Enrique Olivares Peña, Wolfgang Wenzel and Artem Fediai ()
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Jonas Armleder: Karlsruhe Institute of Technology
Tobias Neumann: Nanomatch GmbH
Franz Symalla: Nanomatch GmbH
Timo Strunk: Nanomatch GmbH
Jorge Enrique Olivares Peña: Karlsruhe Institute of Technology
Wolfgang Wenzel: Karlsruhe Institute of Technology
Artem Fediai: Karlsruhe Institute of Technology

Nature Communications, 2023, vol. 14, issue 1, 1-9

Abstract: Abstract Conductivity doping has emerged as an indispensable method to overcome the inherently low conductivity of amorphous organic semiconductors, which presents a great challenge in organic electronics applications. While tuning ionization potential and electron affinity of dopant and matrix is a common approach to control the doping efficiency, many other effects also play an important role. Here, we show that the quadrupole moment of the dopant anion in conjunction with the mutual near-field host-dopant orientation have a crucial impact on the conductivity. In particular, a large positive quadrupole moment of a dopant leads to an overscreening in host-dopant integer charge transfer complexes. Exploitation of this effect may enhance the conductivity by several orders of magnitude. This finding paves the way to a computer-aided systematic and efficient design of highly conducting amorphous small molecule doped organic semiconductors.

Date: 2023
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DOI: 10.1038/s41467-023-36748-x

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