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

Abstract

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. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.