Electrochemical Electron Transfer: From Marcus Theory to Electrocatalysis - Fuel Cell Catalysis: A Surface Science Approach - page 51

Figure 2.18 Evolution of the molecular density of states in the presence of a d-band, corre-
sponding to Fig. 2.16b. (a) Initial state, stable molecule. (b) Activated state. (c) Final state,
two anions. The shading indicates the position of the d-band.

Figure 2.19 The energy of activation of the reduction reaction for various interactions with
the d-band: (a) as a function of the position of the d-band center; (b) as a function of the coupling
strength. The parameters are D sp ¼ 0 : 1 eV, w d ¼ 1 eV, l ¼ 0 : 5 eV, and A ¼ 4 eV; in (a),

D d ¼ 2 : 0 eV; in (b), 1 c ¼ 0 : 5eV : The horizontal line indicates the value in the absence of

the d-band.