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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.
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