Beilstein J. Nanotechnol.2011,2, 384–393, doi:10.3762/bjnano.2.44
experimental evidence yet with respect to the presence of these adsorbates on the Pd layer. Hence it is fair to say that the reason for the strong downshift of the Pd DOS in the Au/Mpy/Pd junction is still unclear.
The electrochemical metalization of the SAMs occurs in the presence of an aqueous electrolyte
of the Au(111) substrate. However, it is fair to say that the Pd–Pd distance in the real system is not known, because in the scanning tunneling microscopy (STM) measurements the lateral distances could not be exactly calibrated [8]. It might well be that the Pd layer is not commensurate with the Au
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Figure 1:
Top view of the optimized structure of a single H2O molecule on the palladium monolayer of the ()R3...