SKM 2021 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 19: Poster Session IV

HL 19.11: Poster

Donnerstag, 30. September 2021, 13:30–16:30, P

Electronic properties of MoS₂ monolayer doped by donor, acceptor, and aromatic molecules — •Juan Pablo Guerrero^1,2, Ana M. Valencia^2,3, Jannis Krumland², and Caterina Cocchi^2,3 — ¹Department of Physics, Freie Universität Berlin (Germany) — ²Department of Physics and IRIS Adlershof, Humboldt-Universität zu Berlin (Germany) — ³Institute of Physics, Carl von Ossietzky Universität Oldenburg (Germany)

The electronic properties of hybrid inorganic-organic interfaces are critically influenced by the level alignment across the heterostructure and by possible hybridization effects that occur therein. In turn, these properties are determined by the nature of the molecular dopants and by their arrangements. In the framework of (hybrid) density functional theory, we investigate the electronic structure of a single sheet of MoS₂ covered by monolayers of planar molecules such as pyrene, tetrathiafulvalene, and bithiophene, which are known to act as donors, as well as with the acceptors 7,7,8,8-tetracyanoquinodimethane and its tetrafluorinated counterpart. Our results show that all considered heterostructures exhibit a type II level alignment with negligible charge transfer at the interface. However, in the electronic structure of the systems, the signatures of electron or hole doping to the MoS₂ can be identified.