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Crystal Structure of Rubrene (1,1,0): Orthorhombic Lattice and Charge Carrier Transport

Explore the orthorhombic crystal lattice of rubrene and its significance in charge carrier transport, revealing elongation along the b axis and FET measurements. Learn about crystal packing, molecular steps, and optical properties of Rubrene.

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Crystal Structure of Rubrene (1,1,0): Orthorhombic Lattice and Charge Carrier Transport

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  1. Crystal structure of Rubrene (1,1,0) The crystal lattice of rubrene is orthorhombic:  =  =  = 900 and a = 14.44 Å b = 7.18 Å c = 26.97 Å Density = 1.26 g/cm3 Z = 4 The space group Aba2 In most of the rubrene crystals the largest natural facet is (a,b), at which we probe charge carrier transport by depositing a FET structure. The crystals are usually elongated along the b axis, and the two natural angles can be identified if the corners are not broken off:  = 1270, and  = 116.50 In FET measurements, the mobility is at maximum along the b axis (see next slide). The c axis is perpendicular to the drawing.   b c • a (1,0,0) Normally, the crystals are elongated in this direction (0,0,1) Henn, Williams, Gibbons, J. Appl. Cryst. 4, 256 (1971) (see actual text of the paper on the last slide) 1-in rubrene crystal (RU 2009)

  2. Molecular Packing in Rubrene herringbone packing b rubrene a b rubrene HOMO a c V. Sundar et al., Science303, 1644-1646 (2004) V. Podzorov et al., Phys. Rev. Lett. 93, 086602 (2004) the a-b plane, flat crystal facet Strong - overlap along the b axis  b ~ 20 cm2/Vs, a record for mobility in organic semiconductors

  3. 3D crystal structure of Rubrene b (14 Å) a (7 Å) d (~15 Å) c (27 Å) Molecular steps in AFM image on the left correspond to one top layer of rubrene molecules. The terraces are separated by d = c/2 = ~15 Å.

  4. Optical absorption and photoluminescence of Rubrene H. Najafov et al, PRL 96 056604 (2006)

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