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marzec 2019
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  1. C. García-Fernández, E. Sierda, M. Abadía, B. Bugenhagen, M.H. Prosenc, R. Wiesendanger, M. Bazarnik, J.E. Ortega, J. Brede, E. Matito, and A. Arnau
    "Exploring the Relation Between Intramolecular Conjugation and Band Dispersion in One-Dimensional Polymers"
    J. Phys. Chem. C, 2017, 121 (48), 27118–27125


    Making use of the inherent surface anisotropy of different high index surface planes vicinal to the low index Au(111) orientation, one-dimensional polymers have been synthesized following established procedures from two different precursor molecules. The successful polymerization of both 4,4″-dibromo-p-terphenyl and 5,5′-dibromo-salophenato-Co(II) precursors into poly(p-phenylene) and poly[salophenato-Co(II)], respectively, has been confirmed by scanning tunneling microscopy and low energy electron diffraction. Angle-resolved photoemission spectroscopy data reveal a highly dispersive band in the case of poly(p-phenylene) while no significant dispersion is resolved for poly[salophenato-Co(II)]. On the basis of density functional theory calculations, we explain this observation as a result of a high conjugation along the aromatic phenyl groups in poly(p-phenylene) that is absent in the case of poly[salophenato-Co(II)], where intramolecular conjugation is interrupted in the salophenato-Co(II) unit. Furthermore, we make use of multicenter and delocalization indexes to characterize the electron mobility (corresponding to a high band dispersion) along different paths associated with individual molecular orbitals.
  2. E. Sierda, M. Abadia, J. Brede, M. Elsebach, B. Bugenhagen, M. H. Prosenc, M. Bazarnik, and R. Wiesendanger
    "On-Surface Oligomerization of Self-Terminating Molecular Chains for the Design of Spintronic Devices"
    ACS Nano, 2017, 11 (9), 9200–9206


    Molecular spintronics is currently attracting a lot of attention due to its great advantages over traditional electronics. A variety of self-assembled molecule-based devices are under development, but studies regarding the reliability of the growth process remain rare. Here, we present a method to control the length of molecular spintronic chains and to make their terminations chemically inert, thereby suppressing uncontrolled coupling to surface defects. The temperature evolution of chain formation was followed by X-ray photoelectron spectroscopy to determine optimal growth conditions. The final structures of the chains were then studied, using scanning tunneling microscopy, as a function of oligomerization conditions. We find that short chains are readily synthesized with high yields and that long chains, even exceeding 70mers, can be realized under optimized growth parameters, albeit with reduced yields.