title: Coverage-dependent structural phase transformations in the adsorption of pentacene on an aperiodically modulated Cu film.
abstract: Surface ordering of pentacene molecules adsorbed on an aperiodic Cu surface has been studied with density functional theory (DFT) and scanning tunnelling microscopy as a function of coverage. Below 0.73 ML (5.3 × 1013molecules cm-2), the adsorbate structure is row-like with the molecular axes aligned with the rows in the Cu structure. Between this coverage and 1 ML (7.3 × 1013molecules cm-2), a structural phase with a checkerboard structure is seen. At this coverage region, the molecules are very close to each other which leads to unusual bending. At higher coverages, a further phase transition to a high-density row structure is seen for most of the film. DFT with van der Waals functionals is employed to study how the molecule-molecule and molecule-surface interactions evolve as a function of coverage.
authors: School of Engineering Science, Lappeenranta University of Technology, P.O. Box 20, FIN-53851 Lappeenranta, Finland.
authors: M
authors: M
authors: Lahti
authors: School of Engineering Science, Lappeenranta University of Technology, P.O. Box 20, FIN-53851 Lappeenranta, Finland.
authors: K
authors: K
authors: Pussi
authors: Jeremiah Horrocks Institute for Mathematics, Physics and Astronomy, University of Central Lancashire, Preston PR1 2HE, United Kingdom.
authors: J A
authors: JA
authors: Smerdon
authors: Surface Science Research Centre, University of Liverpool, Oxford St., Liverpool L69 3BX, United Kingdom.
authors: K M
authors: KM
authors: Young
authors: Surface Science Research Centre, University of Liverpool, Oxford St., Liverpool L69 3BX, United Kingdom.
authors: H R
authors: HR
authors: Sharma
authors: Surface Science Research Centre, University of Liverpool, Oxford St., Liverpool L69 3BX, United Kingdom.
authors: R
authors: R
authors: McGrath