NiPd co-doped nitrogen-coordinated graphene as a high-efficiency electrocatalyst for oxygen reduction reactions: a first-principles determination

Abstract

The high-energy-density fuel cells and metal-air batteries are difficult to commercialize on a large scale mainly because of the sluggish oxygen reduction reaction (ORR) at the cathode. Hence, the development...

Boosting the oxygen reduction reaction activity of dual-atom catalysts on N-doped graphene by regulating the N coordination environment

“…It is noteworthy that the values of −0.34, −0.45, and −0.33 eV fall in the range of −0.24 and −0.80 eV for some excellent dual-metal-atom embedded N-doped graphene ORR catalysts. 19,31–33 Thus, Ni 2 N 5 (OH 2 ), FeNiN 5 (OH 2 ), and CoNiN 5 (OH 2 ) may possess outstanding ORR catalytic activities.…”