Electronic interplay: synergism of binary transition metals and role of M-N-S site towards oxygen electrocatalysis

Towards rational catalyst development, a binary Fe-Co centre has been coordinated with S and N in a nanocarbon matrix. An electronic drift between Fe-Co and an extended +R effect from the S dopants towards the metals through the p z orbital of N are beneficial for oxygen electrocatalysis and a zinc-air battery. The exciting oxygen electrocatalysis of binary Fe-Co catalyst coordinated with -N-S- moiety results from combined +R effect of S atoms and a π-drift from the Fe-d xz / yz orbital to the Co-d z 2 orbital.