Instead, the Au atoms directly beneath the Cp ring of Fc show charge depletion, while Au atoms at other positions still exhibit charge accumulation. This can be clearly observed in Figures , and the corresponding cross-sectional views in Figure . Based on this, it can be concluded that in the vertical adsorption configurations, the charge interaction between Fc and the metal surface is region-specific: in the area directly beneath the Cp ring, Au atoms act as electron donors, whereas in other regions of the surface close to the H atoms, Au atoms act as electron acceptors. This region-specific adsorption characteristic forms an electron circuit, effectively knitting Fc with the metal surface during adsorption. This conclusion is further supported by the Bader charge analysis. As shown clearly in the results of Table , the charge density of the three Au atoms located directly beneath Fc is not only lower than that of the other Au atoms but also lower than the charge density of Au atoms on the clean Au surface. Meanwhile, the total Bader charge changes of the E-Fc at adsorption in the E-Fc(⏊)/Au(111) is given by -0.1042 eV (-0.1035 eV for the S-Fc(⏊)/Au(111)), which is significantly smaller than the E-Fc (||)/Au(111) configuration (-0.1502 eV). As a result, it may form a charge transfer loop from Cp of E-Fc through the Au(111) as a media and back to the centre Fe of E-Fc, ie, E-Fc(Cp)→Au(111) →E-Fc(Fe), as shown in Figure ).