Abstract:We present a first-principles study of the conductance of attached to Au(111) electrodes. Cellular levels of 8-oxoG have been found in larger concentrations in cancer patients. The current through the structure was calculated using a DFT-NEGF formalism. We have compared flat and pyramidal electrode geometries and show that there is a measurable difference between the I-V characteristics of the pristine molecule and the 8-oxoG. For a flat electrode geometry, 8-oxoG produces a 2.57 (18.3) times increase in curr… Show more
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