Electrostatic potentials of atomic nanostructures at metal surfaces quantified by scanning quantum dot microscopy

Rustem Bolat, Jose M. Guevara, Philipp Leinen, Marvin Knol, Hadi H. Arefi, Michael Maiworm, Rolf Findeisen, Ruslan Temirov, Oliver T. Hofmann, Reinhard J. Maurer, F. Stefan Tautz and Christian Wagner ()
Additional contact information
Rustem Bolat: Forschungszentrum Jülich
Jose M. Guevara: Forschungszentrum Jülich
Philipp Leinen: Forschungszentrum Jülich
Marvin Knol: Forschungszentrum Jülich
Hadi H. Arefi: Forschungszentrum Jülich
Michael Maiworm: Technische Universität Darmstadt
Rolf Findeisen: Technische Universität Darmstadt
Ruslan Temirov: Forschungszentrum Jülich
Oliver T. Hofmann: Graz University of Technology
Reinhard J. Maurer: University of Warwick
F. Stefan Tautz: Forschungszentrum Jülich
Christian Wagner: Forschungszentrum Jülich

Nature Communications, 2024, vol. 15, issue 1, 1-9

Abstract: Abstract The discrete and charge-separated nature of matter — electrons and nuclei — results in local electrostatic fields that are ubiquitous in nanoscale structures and relevant in catalysis, nanoelectronics and quantum nanoscience. Surface-averaging techniques provide only limited experimental access to these potentials, which are determined by the shape, material, and environment of the nanostructure. Here, we image the potential over adatoms, chains, and clusters of Ag and Au atoms assembled on Ag(111) and quantify their surface dipole moments. By focusing on the total charge density, these data establish a benchmark for theory. Our density functional theory calculations show a very good agreement with experiment and allow a deeper analysis of the dipole formation mechanisms, their dependence on fundamental atomic properties and on the shape of the nanostructures. We formulate an intuitive picture of the basic mechanisms behind dipole formation, allowing better design choices for future nanoscale systems such as single-atom catalysts.

Date: 2024
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DOI: 10.1038/s41467-024-46423-4

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