The CO2 reduction capabilities of transition-metal-chelated nitrogen-substituted carbon nanotube models (TM-4N2v-CNT, TM = Fe, Ru, Os, Co, Rh, Ir, Ni, Pt or Cu) are characterized by density functional theory.
Electrocatalytic performance of two Fe complexes for CO<sub>2</sub> reduction to formate is described. Pendent functional groups are found to enhance the rate and activity of the catalytic response.