Bistetracene Thin Film Polymorphic Control to Unravel the Effect of Molecular Packing on Charge Transport

E.K. Burnett, J. Ly, M.R. Niazi, L. Zhang, S.R. McCuskey, A. Amassian, D.-M. Smilgies, S.C.B. Mannsfeld, A.L. Briseno
Advanced Materials Interfaces, 5 (9), 1701607, (2018)

Bistetracene Thin Film Polymorphic Control to Unravel the Effect of Molecular Packing on   Charge Transport

Keywords

Polymorphism, Crystalline packing, Molecular packing, Organic semiconductors, Polymorph, N-octyldiisopropylsilyl, Acetylene bistetracene (BT), Crystallographic refinement, Thin film, -stacking

Abstract

Polymorphism, the ability for a given material to adopt multiple crystalline packing states, is a powerful approach for investigating how changes in molecular packing influence charge transport within organic semiconductors. In this study, a new “thin film” polymorph of the high-performance, p-type small molecule N-octyldiisopropylsilyl acetylene bistetracene (BT) is isolated and characterized. Structural changes in the BT films are monitored using static and in situ grazing-incidence X-ray diffraction. The diffraction data, combined with simulation and crystallographic refinement calculations, show the molecular packing of the “thin film” polymorph transforms from a slipped 1D π-stacking motif to a highly oriented and crystalline film upon solvent vapor annealing with a 2D brick-layer π-stacking arrangement, similar to the so-called “bulk” structure observed in single crystals. Charge transport is characterized as a function of vapor annealing, grain orientation, and temperature. Demonstrating that mobility increases by three orders of magnitude upon solvent vapor annealing and displays a differing temperature-dependent mobility behavior.

Code

DOI: 10.1002/admi.201701607

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