The stabilization potential of a standing molecule

Science Advances, vol. 7, pp. eabj9751

Abstract

The part-by-part assembly of functional nanoscale machinery is a central goal of nanotechnology. With the recent fabrication of an isolated standing molecule with a scanning probe microscope, the third dimension perpendicular to the surface will soon become accessible to molecule-based construction. Beyond the flatlands of the surface, a wealth of structures and functionalities is waiting for exploration, but issues of stability are becoming more critical. Here, we combine scanning probe experiments with ab initio potential energy calculations to investigate the thermal stability of a prototypical standing molecule. We reveal its generic stabilization mechanism, a fine balance between covalent and van der Waals interactions including the latter’s long-range screening by many-body effects, and find a remarkable agreement between measured and calculated stabilizing potentials. Beyond their relevance for the design and construction of three-dimensional molecular devices at surfaces, our results also indicate that standing molecules may serve as tunable mechanical gigahertz oscillators.

Authors 7

1. Marvin Knol corresponding Aachen Experimentalphysik IV A

   Forschungszentrum Jülich · Jülich Aachen Research Alliance · RWTH Aachen University

   Affiliation as printed

   Experimentalphysik IV A, RWTH Aachen University, Otto-Blumenthal-Straße, 52074 Aachen, Germany

   Jülich Aachen Research Alliance (JARA)–Fundamentals of Future Information Technology, 52425 Jülich, Germany

   Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany

2. Hadi H. Arefi corresponding

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Jülich Aachen Research Alliance (JARA)–Fundamentals of Future Information Technology, 52425 Jülich, Germany

   Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany

3. Daniel Corken

   University of Warwick

   Affiliation as printed

   Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, UK

4. James Gardner

   University of Warwick

   Affiliation as printed

   Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, UK

5. Frank Stefan Tautz Aachen Experimentalphysik IV A

   Forschungszentrum Jülich · Jülich Aachen Research Alliance · RWTH Aachen University

   Affiliation as printed

   Experimentalphysik IV A, RWTH Aachen University, Otto-Blumenthal-Straße, 52074 Aachen, Germany

   Jülich Aachen Research Alliance (JARA)–Fundamentals of Future Information Technology, 52425 Jülich, Germany

   Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany

6. Reinhard J. Maurer

   University of Warwick

   Affiliation as printed

   Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, UK

7. Christian Wagner corresponding

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Jülich Aachen Research Alliance (JARA)–Fundamentals of Future Information Technology, 52425 Jülich, Germany

   Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany