Abstract
We have studied the electron transfer (ET) reaction between the cytochrome c (Cyt c) and the graphene oxide (GO). The ET reorganization energy, the ET coupling matrix element and the ET rate constant for Cyt c-GO system have been calculated using QM+MM method based on semi-classical Marcus theory. The total reorganization energy of Cyt c and GO system is about 0.9 eV. Although the conformation of Cyt c and the relative orientation of Cyt c to GO have little influence on the reorganization energy, they make a significant influence on the coupling matrix element, which results in the tremendously different ET rate constants by different orders of magnitudes. Comparing the ET rate constant of Cyt c-Go system with that between Cyt c and Cyt c1, it indicates that there is a competition between GO and Cyt c1 in the ET reaction with Cyt c.
Published Version
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