of the weak interactions between very localized electrons, the d-band state is narrow and lies very close to the Fermi level of the metal. After renormalization, in the second step, the renormalized sp-band interacts with the localized d-band states, and because of the narrow nature of the d-band, which is like discrete molecular electronic levels, bonding and anti-bonding states are formed as a result of this interaction (Figure S5.9 c and d). The formation of these bonding and antibonding states after interaction with the d-states is the central idea of the dband model. The relative position of these anti-bonding states to the Fermi level determines how much of the anti-bonding state is filled, which determines the total energy gain for the adsorbate interaction with the metal surface. As a result, we can see that the Fermi level and the relative position of the metal's d-band can be used to explain the trend of adsorption at various transition metal surfaces. When the antibonding state lies completely above the Fermi level, no destabilization is expected from the interaction of the sp-state with the d-band state, and thus a more pronounced adsorption is predicted. However, if antibonding states are below (fully or partially) the Fermi level, a destabilization effect can lower the impact of strong interaction with the sp-state. In this chapter, we observed that the Volcano relation in anhydrous media follows the same relative trend as previously reported in aqueous media. Additionally, we noted that CO adsorption over transition metal catalysts has been well-described using the d-band model. From these findings, we can draw two key conclusions: Firstly, the intrinsic electronic factors that cause the volcano trend in aqueous media have the same impact in anhydrous media. In other words, the intrinsic interactions of transition metals do not change significantly when switching from aqueous to anhydrous media Secondly, we can apply the principles of the d-band model to predict and synthesize efficient catalysts for CO2 reduction in anhydrous media. By designing catalysts with appropriate electronic properties, we can maximize their activity and selectivity towards desirable products.
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