Beilstein J. Nanotechnol.2011,2, 384–393, doi:10.3762/bjnano.2.44
units in possible nanoelectronicdevices. We have investigated the interaction between water and a palladium monolayer of a Au(111)/4-mercaptopyridine/Pd junction by means of DFT calculations. A relatively strong bond between water and the palladium monolayer of the Au/Mpy/Pd complex is observed via a
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Figure 1:
Top view of the optimized structure of a single H2O molecule on the palladium monolayer of the ()R3...