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@ARTICLE{Bolat:1039745,
author = {Bolat, Rustem and Guevara Parra, Jose Maria and Leinen,
Philipp and Knol, Marvin and Arefi, Hadi and Maiworm,
Michael and Findeisen, R. and Temirov, Ruslan and Hofmann,
O. T. and Maurer, R. J. and Tautz, Frank Stefan and Wagner,
Christian},
title = {{T}he electrostatic potential of atomic nanostructures on a
metal surface},
reportid = {FZJ-2025-01784},
year = {2023},
abstract = {The discrete and charge-separated nature of matter -
electrons and nuclei - results in local electrostatic fields
that are ubiquitous in nanoscale structures and are
determined by their shape, material, and environment. Such
fields are relevant in catalysis, nanoelectronics and
quantum nanoscience, and their control will become even more
important as the devices in question reach few-nanometres
dimensions. Surface-averaging techniques provide only
limited experimental access to these potentials at and
around individual nanostructures. Here, we use scanning
quantum dot microscopy to investigate how electric
potentials evolve as nanostructures are built up atom by
atom. We image the potential over adatoms, chains, and
clusters of Ag and Au atoms on Ag(111) and quantify their
surface dipole moments. By focusing on the total charge
density, these data establish a new benchmark for ab initio
calculations. Indeed, our density functional theory
calculations not only show an impressive agreement with
experiment, but also allow a deeper analysis of the
mechanisms behind the dipole formation, their dependence on
fundamental atomic properties and on the atomic
configuration of the nanostructures. This allows us to
formulate an intuitive picture of the basic mechanisms
behind dipole formation, which enables better design choices
for future nanoscale systems such as single atom catalysts.},
cin = {PGI-3},
cid = {I:(DE-Juel1)PGI-3-20110106},
pnm = {5213 - Quantum Nanoscience (POF4-521)},
pid = {G:(DE-HGF)POF4-5213},
typ = {PUB:(DE-HGF)25},
url = {https://juser.fz-juelich.de/record/1039745},
}