Regulating the electronic structure of single-atom catalysts for electrochemical energy conversion

Abstract

Single-atom catalysts (SACs) are highly effective in electrochemical energy conversion due to their abundant active sites. Their exceptional electrocatalytic efficiency can be achieved by regulating the electronic structure to optimize...

Ru–W Pair Sites Enabling the Ensemble Catalysis for Efficient Hydrogen Evolution

“…Single-atom catalysts (SACs) with tunable local coordination environment represent a promising material platform for modulating the electronic structures of active sites, [9,10] as demonstrated by their ability to optimize the free energy of intermediates during the HER process. [11] Currently, various Ru SACs have been developed by modulating anions ligands in the first coordination shell, leading to excellent alkaline HER activity, such as Ru SAs@PN, [12] Ru-MoS 2 /CC, [13] R-NiRu, [14] RuSA-Ti 3 C 2 T x , [15] etc.…”

Hierarchical Dual Single-Atom Catalysts with Coupled CoN4 and NiN4 Moieties for Industrial-Level CO2 Electroreduction to Syngas

“…The Co 0.5 Ni 0.5 –N–C possesses isolated CoN 4 and NiN 4 single sites, without the presence of Co–Ni bonds. Due to the high density of MN 4 moieties (Figure b), some NiN 4 and CoN 4 moieties could be very close to each other, and the coupled effect of the adjacent NiN 4 and CoN 4 moieties leads to interactional performance. , As expected, the Co 0.5 Ni 0.5 –N–C DSAC presents the FE CO plateau of 50 ± 5% (i.e., CO/H 2 = 1) within the wide potential window of −0.5 to −0.9 V due to the synergism of dual single-atom sites. At a fixed potential of −0.7 V, mix-Co/Ni–N–C delivers a slightly larger current density than Co 0.5 Ni 0.5 –N–C DSAC (26.5 mA cm –2 vs 22 mA cm –2 ), though they have comparable Ni and Co contents (Figure c).…”

Towards sustainable electrochemical ammonia synthesis

“…To improve the interfacial catalytic efficiency, it is desirable to downsize the particles to clusters or single atoms and increase the low-coordinated or unsaturated atoms for functional active sites. 98 By embedding isolated atoms in substrates with higher specific surface area, such as two-dimensional materials (graphene, molybdenum disulfide, etc. ) and three-dimensional porous carbon, the metal active sites possess maximized atomic utilization efficiency and lower coordination number, presenting excellent electrocatalytic eNRR activity.…”