Publications by authors named "Runxi Zhu"

Iron-nitrogen-carbon single atom catalyst (SAC) is regarded as one of the promising electrocatalysts for NO reduction reaction (NO RR) to NH due to its high activity and selectivity. However, synergistic effects of topological defects and FeN active moiety in Fe-N-C SAC have rarely been investigated. By performing density functional theory (DFT) calculations, 13 defective graphene FeN with 585, 484, and 5775 topological line defects are constructed, yielding 585-68-FeN with optimal NO RR catalytic activity, high selectivity, as well as robust anti-dissolution stability.

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Article Synopsis
  • Single-atom catalysts (SACs) with adjustable structures can enhance the selectivity of the oxygen reduction reaction (ORR), although managing this process effectively remains a challenge.
  • Researchers developed niobium (Nb) SACs with specific oxygen configurations, achieving remarkable performance for the 2e ORR, showing an onset overpotential of just 9 mV and over 95% selectivity for hydrogen peroxide synthesis in a KOH solution.
  • Theoretical calculations reveal that the unique Nb-N and nearby oxygen structures improve the strength of crucial bonding interactions, which facilitates the 2e ORR pathway, paving the way for better-performing SACs.
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Ethanol as a fuel for direct ethanol fuel cells (DEFCs) has the advantages of being highly energetic, environmentally friendly, and low-cost, while the slow anodic ethanol oxidation reaction (EOR), intermediate poisoning effect, and incomplete oxidation of ethanol became obstacles to the development of DEFCs. Herein, a 2D ternary cyclic Pd Pt Rh nanorings (NRs) catalyst with efficient EOR performance is prepared via a facile one-pot solvothermal approach, and systematic studies are carried out to reveal the mechanisms of the enhanced performance and C-C bond selectivity. In particular, the optimized catalyst exhibits impressive mass activity, stability, toxicity resistance, and C-C bond cleavage ability.

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