Transport in molecular junctions with different metallic contacts
نویسندگان
چکیده
منابع مشابه
Transport in molecular junctions with different metallic contacts
Ab initio calculations of phenyl dithiol connected to Au, Ag, Pd, and Pt electrodes are performed using nonequilibrium Green’s functions and density functional theory. For each metal, the properties of the molecular junction are considered both in equilibrium and under bias. In particular, we consider in detail charge transfer, changes in the electrostatic potential, and their subsequent effect...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.74.125401