Fullerene Negative Ions: Formation and Catalysis.

We first explore negative-ion formation in fullerenes C to C through low-energy electron elastic scattering total cross sections calculations using our Regge-pole methodology. Then, the formed negative ions C to C are used to investigate the catalysis of water oxidation to peroxide and water synthesis from H and O. The exploited fundamental mechanism underlying negative-ion catalysis involves hydrogen bond strength-weakening/breaking in the transition state. Density Functional Theory transition state calculations found C optimal for both water and peroxide synthesis, C increases the energy barrier the most, and C the most effective catalyst in both water synthesis and oxidation to HO.