Recent advances in regulating the performance of acid oxygen reduction reaction on carbon-supported non-precious metal single atom catalysts

Novel 2D carbon material T-graphene supported 3d transition metal single atoms as efficient oxygen reduction catalysts

“…3d TM SACs have been widely investigated to replace precious metals such as platinum for ORR due to the advantages of low cost, nearly 100% atomic utilization, outstanding activity and selectivity, and precise design and control of the local structures. [1][2][3][4][5][6][7][8][9][10][11] However, metal atoms are prone to agglomeration in the preparation process, so suitable supports are needed to anchor single atoms (SAs) to ensure their dispersion and stability. [12][13][14][15] Carbon-based materials possess an extremely high specific surface area, high strength and high conductivity, making them promising SA supports for efficient ORR.…”

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

“…However, because the ORR involves multiple reaction species, it is still challenging for SACs to improve the catalytic activities through regulating the adsorbing modes of reaction intermediates. 12 In addition to inheriting all of the benefits of M-N-Gs, double metal atoms co-doped nitrogen-coordinated graphene (M 1 M 2 -N-G) dual-atom catalysts (DACs) also effectively remove certain obstacles, including low metal loading, low overall catalytic activity, and single active sites. 13 As a result, they are widely applied to electrochemical reactions like the CO 2 reduction reaction (CO 2 RR), hydrogen evolution reaction (HER) and ORR.…”

Exploring the catalytic activity of graphene-based TM-NxC4-xsingle atom catalysts for the oxygen reduction reactionviadensity functional theory calculation

“…6 Different types of SACs have been extensively reported in early literature. [12][13][14][15] Among those different SACs, the graphenebased TM-N-C catalyst showed promising performance in ORR catalysis due to its sufficient active sites for O 2 adsorption and reduction. [16][17][18][19] In 1964, Jasinski first reported the synthesis of Co-N-C catalysts by utilizing cobalt phthalocyanine.…”

“…Thus, porous defects, topological defects, substitution of coordination atoms and various coordination structures of the TM center may exist, which give a chance to computational chemists to dig out how these factors affect the catalytic performance of TM-N-C. Up to now the effect of N/C coordination on the ORR activity and mechanism has been extensively reported via simulation. 6,15,[26][27][28][29] For instance, Liu et al proposed a model to understand the ORR activity of the Fe-N 4 site based on the spatial structure and frontier orbitals. 14 They found that the Fe-O bond length, d-band center gap of the spin state and magnetic moment of the Fe site were highly related to the ORR activity of the Fe-N 4 site.…”