Mechanisms of jump to contact and conductance plateau formation in copper atomic junctions in vacuum and aqueous environments
Alireza Saffarzadeh,
George Kirczenow
Abstract:The interplay between groups of water molecules and single-atom contacts, as reflected in the electrical conductances and mechanical forces of copper atomic junctions, is explored by means of first-principles theory and semi-empirical calculations. We study the influence of the atomic geometries of copper electrodes with pyramidal and non-crystalline structures in the presence and absence of water on the conductance profiles as the electrodes approach each other. It is shown that the atomic arrangements of nan… Show more
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