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Molecular structure of the substrate-induced thin-film phase of tetracene

DOI: 10.1063/1.5043379 DOI Help

Authors: Linus Pithan (Humboldt-Universität zu Berlin; ESRF—The European Synchrotron) , Dmitrii Nabok (Humboldt-Universität zu Berlin; IRIS Adlershof) , Caterina Cocchi (Humboldt-Universität zu Berlin; IRIS Adlershof) , Paul Beyer (Humboldt-Universität zu Berlin) , Giuliano Duva (Universität Tübingen) , Joseph Simbrunner (Medical University Graz) , Jonathan Rawle (Diamond Light Source) , Chris Nicklin (Diamond Light Source) , Peter Schäfer (Humboldt-Universität zu Berlin) , Claudia Draxl (Humboldt-Universität zu Berlin; IRIS Adlershof) , Frank Schreiber (Universität Tübingen) , Stefan Kowarik (Humboldt-Universität zu Berlin)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Chemical Physics , VOL 149

State: Published (Approved)
Published: October 2018
Diamond Proposal Number(s): 12895

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.

Journal Keywords: Molecular structure; Grazing incidence X-ray diffraction; Bragg reflection; Polymorphism; Thin films; Chemical compounds and components; Atomistic simulations; Organic semiconductors; Crystal structure

Subject Areas: Materials, Physics


Instruments: I07-Surface & interface diffraction