High catalytic activity of MBenes-supported single atom catalysts for oxygen reduction and oxygen evolution reaction

Reasonable Design of MXene-Supported Dual-Atom Catalysts with High Catalytic Activity for Hydrogen Evolution and Oxygen Evolution Reaction: A First-Principles Investigation

“…Given the weak interaction between the O-terminal functional groups and the OER reactive intermediates (OH ∗ , O ∗ , and OOH ∗ ), it is crucial to embed metal atom active sites on the surface of Mo 2 TiC 2 O 2 to enhance the ability to activate the reactive intermediates. Based on previous studies, MXene-supported mono-metal Pt catalysts generally exhibit superior HER and OER catalytic activity [ 53 , 54 , 55 ]. Here, the Pt@Mo 2 TiC 2 O 2 structure was first constructed by considering three possible Pt atom anchoring sites: fcc (F), top (T), and hcp (H) (as shown in Figure 1 ).…”

“…In the acidic environment, the overall OER could be expressed in Equation (4), and the elementary reactions are listed in Equation (5) to Equation (8) [ 53 ]: H 2 O (l) → O 2 (g) + 4H + + 4e − H 2 O (l) + ∗ → OH ∗ + H + + e − OH ∗ → O ∗ + H + + e − H 2 O (l) + O ∗ → OOH ∗ + H + + e − OOH ∗ → O 2 (g) + H + + e − …”

Doped MXene combinations as highly efficient bifunctional and multifunctional catalysts for water splitting and metal–air batteries

“…The high kinetic barrier for spontaneous O 2 dissociation in the basal plane of MXenes facilitates the associative mechanism, which begins with the hydrogenation of the O 2 molecule. 58–60 The overall reaction for an ORR process is O 2 + 4H + + 4e − → 2H 2 O. A total of ∼10 efficient catalysts are found for the ORR ( η ORR < 0.5 V), with Cu–Sc 2 YN 2 O 2 , Cu–Y 2 ScN 2 O 2 , Cu–Sc 2 HfC 2 O 2 , Ni–Cr 2 ScC 2 O 2 , and Ni–Ti 2 ScC 2 O 2 as the most active catalysts with η ORR values of 0.28 V, 0.31 V, 0.42 V, 0.45 V, and 0.46 V, respectively (Table S5†).…”

“…The high kinetic barrier for spontaneous O 2 dissociation in the basal plane of MXenes facilitates the associative mechanism, which begins with the hydrogenation of the O 2 molecule. [58][59][60] The overall reaction for an ORR process is O 2 + 4H + + 4e − / 2H 2 O. A total of $10 efficient catalysts are found for the ORR (h ORR < 0.5 V), with Cu-Sc 2 YN S5 †).…”

New horizons of MBenes: highly active catalysts for the CO oxidation reaction

“…In 2017, MBenes, a family of two-dimensional transition metal borides, were reported, 31 and they possess similar structures to MXenes. 32 MBenes are widely studied as catalysts or substrates of various reactions, including the hydrogen evolution reaction (HER), 31,[33][34][35][36] the oxygen evolution reaction (OER)/oxygen reduction reaction (ORR), 34,37 the nitrogen reduction reaction (NRR) [38][39][40] and the CO 2 reduction reaction (CO 2 RR). 41,42 Similar to the situation for MXenes, the exposed transition metal surfaces of pristine MBenes can be easily functionalized by O atoms.…”