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Ref 11 proposed that the cathodic current from a NiO electrode by visible light was due to excitation of I3- but not due to excitation of valence band electrons in the NiO. We cannot rule out the possibility. However, in our samples, the NiO absorption and IPCE spectrum are roughly matched, suggesting the cathodic current could be due to the excitation of electrons in the NiO. For the case of the electrochemical cell using CuO, which behaves as a p-type semiconductor, and I-/I3, redox couple in ref 8 it is clearer that the IPCE and CuO absorption spectrum are matched, showing that excited electrons can flow from the semiconductor to I3
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Calculations for NK-2684 were performed with the alky chain, 18 were done with AM1, and the results are included in the Supporting Information, showing similar HOMO and LUMO distributions calculated with DGauss
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Calculations for NK-2684 were performed with the alky chain, n = 5, to reduce computation time. Calculations with n = 18 were done with AM1, and the results are included in the Supporting Information, showing similar HOMO and LUMO distributions calculated with DGauss.
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n = 5, to reduce computation time. Calculations with n
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55149112065
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Here, electronic coupling, including exponential dependence on the distance, is a more appropriate parameter to evaluate the dyes, especially for the dyes having wider molecular orbital distribution. However, to compare the three dyes, qualitative analysis would provide consistent explanation for the difference in the APCE
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Here, electronic coupling, including exponential dependence on the distance, is a more appropriate parameter to evaluate the dyes, especially for the dyes having wider molecular orbital distribution. However, to compare the three dyes, qualitative analysis would provide consistent explanation for the difference in the APCE.
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