Regulating nonmetallic species beyond the first coordination shell of single-atom catalysts for high-performance electrocatalysis

Abstract

The local microenvironment of single-atom electrocatalysts (SACs) governs their activity and selectivity. While previous studies have focused on the first coordination shell (FCS) of metal centers, functional species beyond FCS...

A molecular view of single-atom catalysis toward carbon dioxide conversion

“…This implies that the atoms or groups in the second coordination shell, which are not directly bonded to central metal atoms, might also play an important role in the modulation of the performance of the central atoms, as already reported in some SAC systems for CO 2 transformation and other catalytic reactions. [377][378][379][380][381][382] We should emphasize that the non-metal species beyond the rst coordination shell might also have an effect by acting as isolated active centers or adsorption sites, 383 which would not be discussed in this section but introduced in Section 4.4 when reviewing the synergy between single-atom sites and other active centers.…”

Asymmetrical Ru–O–Mn Bridge Active Sites Fully Decouple Bifunctional Oxygen Electrocatalysis for Rechargeable Zinc-Air Batteries

“…3−5 However, both oxygen reduction reaction (ORR, discharge process) and oxygen evolution reaction (OER, charge process) are kinetically sluggish, which cause a large charging/discharging voltage gap and poor energy efficiency. 6,7 Thus, it remains imperative to develop an efficient bifunctional oxygen electrocatalyst to minimize the voltage gap between the OER and ORR for rechargeable zinc-air batteries (ZABs).…”

Isolated Ni-atom catalyst supported on Ti3C2Tx with an asymmetrical C–Ni–N structure for the hydrogen evolution reaction

“…17,18 The unique atom and bond environments, coupled with distinct electronic and geometric structures, differentiate SACs from their nanoparticle counterparts. 19,20 Efficient charge transfer between SACs and their local coordination environment can impact energy shifts at the d-band centers of metal atoms. 21 Lee et al reported that a NiCo bimetallic single-atom-dimer on N-doped carbon catalyst could enhance the HER by modulating d-band centers, which promote swift water splitting.…”