The electronic states of the atoms in a catalyst play a crucial role in its function. These states determine how the catalyst interacts with reactants. For example, the d-orbitals in transition metals can participate in forming intermediate complexes with reactants, thereby lowering the activation energy of the reaction. The density of states (DOS) near the Fermi level is particularly important. A high DOS can facilitate electron transfer processes, which are essential in many catalytic reactions. This is why materials like graphene and carbon nanotubes are being explored as potential catalysts.
