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MUNICH, TOULOUSE, France, and CAMBRIDGE, England, Aug. 2, 2023 /PRNewswire/ Airbus, BMW Group and Quantinuum, world leaders in mobility and quantum technologies, have developed a hybrid quantum-classical workflow to speed up future research using quantum computers to simulate quantum systems, focusing on the chemical reactions of catalysts in fuel cells. In a new technical paper, "Applicability of Quantum. ....
The oxygen reduction reaction (ORR) on transition single-atom catalysts (SACs) is sustainable in energy-conversion devices. However, the atomically controllable fabrication of single-atom sites and the sluggish kinetics of ORR have remained challenging. Here, we accelerate the kinetics of acid ORR through a direct O−O cleavage pathway through using a bi-functional ligand-assisted strategy to pre-control the distance of hetero-metal atoms. Concretely, the as-synthesized Fe−Zn diatomic pairs on carbon substrates exhibited an outstanding ORR performance with the ultrahigh half-wave potential of 0.86 V vs. RHE in acid electrolyte. Experimental evidence and density functional theory calculations confirmed that the Fe−Zn diatomic pairs with a specific distance range of around 3 Å, which is the key to their ultrahigh activity, average the interaction between hetero-diatomic active sites and oxygen molecules. This work offers new insight into atomically controllable SACs synthesis and a ....
Zinc-air batteries (ZABs) have the advantages of high energy density and safety but their large-scale application is hindered by sluggish kinetics of four-electron aqueous O2 redox reactions. Widely used Ruthenium (Ru)-based catalysts possess intrinsic oxygen evolution catalytic activity but suffer from insufficient oxygen reduction reaction (ORR) performance. Herein, to optimize the ORR activity of Ru-based catalyst, an iron (Fe)-coordinated, bimetallic RuFe cluster is constructed and homogeneously dispersed within nitrogen (N)-doped carbon layers (denoted as RuFe@NC). Benefitting from the optimized ORR activity and more active site exposure, the RuFe@NC exhibits superior ORR activity with a half wave potential (E1/2) of 0.88 V higher than that of Pt/C (0.82 V). Accordingly, the RuFe@NC-based ZAB outperforms the Pt/C + IrO2-based device, presenting a reduced polarization of 0.7 V and an enhanced cycling lifetime of 50 h at 10 mA cm−2. Moreover, the optimized ....
The exploration of direct and effective strategies to construct catalysts with targeted active sites is highly desired. Herein, we report a self-template strategy to fabricate Cu/Fe dual-metal-atoms active sites anchored on MOF-derived porous carbon nanosheets (Cu/Fe/N–CNS). Well-defined Cu/Fe/N–CNS performs outstanding electrocatalytic ORR activity with half-wave potential (0.91 V) in alkaline solution, which outperforms commercial Pt/C catalyst. DFT computational studies indicate that Fe–N active sites on Cu/Fe/N–CNS are more favored than Cu–N active sites for the activation of O–O-containing intermediate products to further boost electrocatalytic activity. Furthermore, Cu/Fe/N–CNS exhibits superior discharge stability with negligible voltage fading over 20 cycles (∼150 h) at 15 mA cm−2 in primary Zn-air batteries. This strategy can open new avenues for the construction of superb dual-metal catalysts. ....