Journal article · Preprint article
Electric-Field Control of a Single-Atom Polar Bond
We expose the polar covalent bond between a single Au atom terminating the apex of an atomic force microscope tip and a C atom of graphene on SiC(0001) to an external electric field. For one field orientation, the Au C bond is strong enough to sustain the mechanical load of partially detached graphene, while for the opposite orientation, the bond breaks easily.
Calculations based on density-functional theory and nonequilibrium Green's function methods support the experimental observations by unveiling bond forces that reflect the polar character of the bond. Field-induced charge transfer between the atomic orbitals modifies the polarity of the different electronegative reaction partners and the Au C bond strength.
Language: | English |
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Year: | 2021 |
Pages: | 216801 |
ISSN: | 10797114 and 00319007 |
Types: | Journal article and Preprint article |
DOI: | 10.1103/PhysRevLett.126.216801 |
ORCIDs: | 0000-0001-7011-9136 , Leitherer, S. , 0000-0003-0498-9138 , Brandbyge, M. and 0000-0002-6452-5864 |