The role of nitrogen and sulfur dual coordination of cobalt in Co-N_4−xS_x/C single atom catalysts in the oxygen reduction reaction

Abstract

Single-atom catalysts have been considered as potential candidates for fuel cell applications due to their good oxygen reduction reaction (ORR) activity. In this study, Co-N3S/C revealed a lower overpotential pathway for ORR activity in acidic solution in a fuel cell.

Oxygen Reduction Reaction on Single-Atom Catalysts From Density Functional Theory Calculations Combined with an Implicit Solvation Model

“…With the constant-N e method, the predicted η for Co−N 4 − C (0.51 V) is significantly lower than that for Fe−N 4 −C (0.72 V) and competitive to that for Pt(111) (0.48 V), 60 indicating that the former is more reactive than the latter. Our results are in good agreement with the recent results obtained using DFT with implicit solvation models by Haile et al 61 and Patniboon and Hansen, 5 where η for the Co−N 4 −C is calculated to be 0.57 and 0.46 V, respectively, and with those by Yang et al, 62 Wang et al, 63 and Patniboon and Hansen, 5 where η for Fe− N 4 −C is predicted to be as high as 0.70, 0.83, and 0.83 V, respectively.…”

Scalable production of reduced graphene oxide via biowaste valorisation: an efficient oxygen reduction reaction towards metal-free electrocatalysis

“…In general, the ORR catalyst's microstructure and composition are influenced by the N-doped precursor structure. [29][30][31][32] Examples include nitrogen (N)-doped CNTs, which have greater catalytic activity than typical Pt/C materials due to the existence of pyridinic and pyrrolic N species. 33 Besides, because of the covalent bonding of heteroatoms to carbon atoms, subsequently, their influence does not wane over time, indicating their exceptional ORR durability.…”

Molybdenum Carbide for Catalytic De/hydrogenation Process: Synthesis, Modulation and Applications

“…[18] Although these precious metal catalysts have high activity, their scarce resources on earth and high prices on the market have prompted people to search for cheaper and feasible alternatives. Non-precious metal-based catalysts, namely Fe, [23][24][25] Co, [26][27][28] Ni, [29][30][31] and other transition metals, have recently been developed as a class of effective alternatives to precious metal catalysts in de/hydrogenation. Additionally, inorganic materials generated by metals and non-metallic elements, such as metal oxides, [32,33] metal carbides, [34,35] and metal nitrides, [36,37] have been synthesized and used in thermal dehydrogenation/hydrogenation catalysis for ethanol upgrading [38] and deoxygenation refining of biooils.…”