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Instruments / Technical Area	Publication Details	Published
I07-Surface & interface diffraction	Molecular structure of the substrate-induced thin-film phase of tetracene Linus Pithan , Dmitrii Nabok , Caterina Cocchi , Paul Beyer , Giuliano Duva , Joseph Simbrunner , Jonathan Rawle , Chris Nicklin , Peter Schäfer , Claudia Draxl , Frank Schreiber , Stefan Kowarik The Journal Of Chemical Physics 149 DOI: 10.1063/1.5043379 Diamond Proposal Number(s): [12895] Show Abstract ▼ 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.	Oct 2018
I07-Surface & interface diffraction	Thin film texture and optical properties of donor:acceptor complexes. Diindenoperylene:F6TCNNQ vs Alpha-Sexithiophene:F6TCNNQ Giuliano Duva , Linus Pithan , Clemens Zeiser , Berthold Reisz , Johannes Dieterle , Bernd Hofferberth , Paul Beyer , Laura Bogula , Andreas Opitz , Stefan Kowarik , Alexander Hinderhofer , Alexander Gerlach , Frank Schreiber The Journal Of Physical Chemistry C DOI: 10.1021/acs.jpcc.8b03744 Show Abstract ▼ Abstract: In this work two novel donor:acceptor (D:A) complexes, namely diindenoperylene(DIP):1,3,4,5,7,8-hexafluoro-tetracyanonaphthoquinodimethane(F6TCNNQ) and alpha-sexithiophene(6T):F6TCNNQ, are studied. The D:A complexes segregate in form of π-π stacked D:A co-crystals and can be observed by X-ray scattering. The different conformational degrees of freedom of the donor molecules, respectively, seem to affect the thin film crystalline texture and composition of the D:A mixtures significantly. In equimolar mixtures, for DIP:F6TCNNQ the crystallites are mostly uniaxially oriented and homogeneous, whereas for 6T:F6TCNNQ a mostly 3D (isotropic) orientation of the crystallites and coexistence of domains of pristine compounds and D:A complex, respectively, are observed. Using optical absorption spectroscopy we observe for each of the two mixed systems a set of new, strong transitions located in the near-IR range below the gap of the pristine compounds: such transitions are related to charge-transfer (CT) interactions between donor and acceptor. The optical anisotropy of domains of the D:A complexes with associated new electronic states is studied by ellipsometry. We infer that the CT-related transition dipole moment is perpendicular to the respective π-conjugated planes in the D:A complex.	Jul 2018
I07-Surface & interface diffraction	Direct Photoalignment and Optical Patterning of Molecular Thin Films Linus Pithan , Paul Beyer , Laura Bogula , Anton Zykov , Peter Schäfer , Jonathan Rawle , Chris Nicklin , Andreas Opitz , Stefan Kowarik Advanced Materials DOI: 10.1002/adma.201604382 Diamond Proposal Number(s): [12895] Show Abstract ▼ Abstract: A novel strategy for direct photoalignment of molecular materials using optothermal re-orientation is introduced. Photoalignment for molecular materials such as the organic semiconductor tetracene is shown, without relying on additional photoreactive dopants or alignment layers. Patterning and polarized light emission, e.g., for polarized organic light emitting diodes is demonstrated.	Nov 2016

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