Medizinische Universität Graz Austria/Österreich - Forschungsportal - Medical University of Graz
Gewählte Publikation:
SHR Neuro Krebs Kardio Lipid Stoffw Microb
Pithan, L; Nabok, D; Cocchi, C; Beyer, P; Duva, G; Simbrunner, J; Rawle, J; Nicklin, C; Schäfer, P; Draxl, C; Schreiber, F; Kowarik, S.
Molecular structure of the substrate-induced thin-film phase of tetracene.
J Chem Phys. 2018; 149(14):144701-144701
Doi: 10.1063/1.5043379
Web of Science
PubMed
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- Co-Autor*innen der Med Uni Graz
- Simbrunner Josef
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- Abstract:
- We present a combined experimental and theoretical study to solve the unit-cell and molecular arrangement of the tetracene thin film (TF) phase. TF phases, also known as substrate induced phases (SIPs), are polymorphs that exist at interfaces and decisively impact the functionality of organic thin films, e.g., in a transistor channel, but also change the optical spectra due to the different molecular packing. As SIPs only exist in textured ultrathin films, their structure determination remains challenging compared to bulk materials. Here, we use grazing incidence X-ray diffraction and atomistic simulations to extract the TF unit-cell parameters of tetracene together with the atomic positions within the unit-cell.