Conductance of Alkanedithiol Single-Molecule Junctions: A Molecular Dynamics Study

Audiovisual UNKNOWN
Paulsson, Magnus; Krag, Casper; Frederiksen, Thomas; Brandbyge, Mads;

We study formation and conductance of alkanedithiol junctions using density functional based molecular dynamics. The formation involves straightening of the molecule, migration of thiol end-groups, and pulling out Au atoms. Plateaus are found in the low-bias conductance... View more
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