Electron induction of atomically dispersed Fe sites by adjacent Te atoms promotes CO2 activation in electroreduction

We report an electron induction regulation mechanism of single -atomic Fe sites by adjacent Te atoms to construct Fe-Te diatomic sites (DASs) for synergistic electrocatalytic CO2 reduction reaction (CO2RR). The Fe-Te DASs feature stable and unique N3Fe-TeC3 structures, with low-valence Fe8+ binding with one C atom and one O atom of CO2, and the adjacent Te8+ acts as an electron donor, adjusting the electronic structure of Fe8+ sites, and stabilizes another negative O atom of CO2 by favorable electrostatics, strengthening CO2 adsorption and activation. Notably, the catalyst delivers a high CO selectivity above 90% over a wide potential range and good stability. The formation of Fe-Te DASs elevates the Fermi level and strengthens the interaction of the 2 1tu orbital of CO2, which is easier to bend and forms activated CO2 intermedi-ate, thereby decreasing the activation barrier and promoting the CO2RR process.