TY - JOUR A1 - Kowarik, Stefan A1 - Pithan, L. A1 - Nabok, D. A1 - Cocchi, C. A1 - Beyer, P. A1 - Duva, G. A1 - Simbrunner, J. A1 - Rawle, J. A1 - Nicklin, C. A1 - Schäfer, P. A1 - Draxl, C. A1 - Schreiber, F. T1 - Molecular structure of the substrate-induced thin-film phase of tetracene JF - Journal of chemical physics N2 - 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 (SIP), 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 Xray diffraction and atomistic simulations to extract the TF unit-cell parameters of tetracene together with the atomic positions within the unit-cell. KW - X-ray DIFFRACTION KW - Tetracene KW - Semiconductor KW - Optoelectronics KW - Molecule PY - 2018 DO - https://doi.org/10.1063/1.5043379 VL - 149 IS - 14 SP - 144701-1 EP - 144701-5 PB - AIP Publishing AN - OPUS4-46399 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -