Precise Structure of Pentacene Monolayers on Amorphous Silicon Oxide and Relation to Charge Transport



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The precise molecular packing in pentacene monolayers on silicon oxide is determined for the first time using a combination of grazing incidence X-ray diffraction (GIXD) and crystallographic refinement calculations. The pentacene molecules are found to adopt a completely tilt-free herringbone motif, the charge-transport properties of which are discussed on the basis of density functional theory calculations.