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February 9, 20266 citations

Dynamic Electron-Hole Shuttle at Atomic Interfaces for Solar-Driven H2O2 and Benzaldehyde Coproduction.

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JSJugong ShiXWXunlu WangMLMolly Meng-Jung Li

Key Points

  • The aim is to develop an atomic-level mechanism to improve charge separation for solar-driven chemical synthesis.
  • Proposed a novel atomic interfacial shuttle in gold cluster-anchored nickel manganite.
  • Utilized ultrafast transient absorption spectroscopy to monitor electron transfer dynamics.
  • Investigated redox cycling of Ni ions to facilitate electron transfer in the reaction.
  • Achieved electron transfer in 3.06 ps via the Au-O-Ni coordination interface.
  • Enhanced charge kinetics by 22.16-fold through transient electron trapping.
  • Produced H<sub>2</sub>O<sub>2</sub> at a rate of 1.00 mmol g<sup>-1</sup> h<sup>-1</sup> and benzaldehyde at 14.59 mmol g<sup>-1</sup> h<sup>-1</sup>.

Abstract

Harnessing solar energy to produce value-added chemicals simultaneously requires the critical step of spatially separating redox processes. However, conventional photocatalysts remain fundamentally constrained by sluggish charge dynamics and irreversible recombination. Here, we propose an atomic-level interfacial shuttle mechanism in sub-nanometer gold cluster-anchored nickel manganite (H-NiMn2O4-β/Au0.5 NCs), which couples dynamic electron-hole separation with Ni3+/Ni2+ redox cycling. Ultrafast transient absorption spectroscopy indicates electron transfer occurring within 3.06 ps, mediated by an Au-O-Ni coordination interface. In this system, Ni3+ functions as a transient electron trap, undergoing rapid reduction to Ni2+ and subsequently transferring electrons to adjacent Au clusters, accelerating charge kinetics by 22.16-fold. This atomic-scale electron relay selectively steers 2e- oxygen reduction by balancing *OOH intermediate stabilization and desorption, yielding H2O2 at 1.00 mmol g-1 h-1. Simultaneously, hole accumulation on lattice oxygen drives α-H abstraction, enabling photooxidation of benzyl alcohol to benzaldehyde (14.59 mmol g-1 h-1). This work presents a dynamic dual-site catalysis model, offering atomic-level insight into interfacial charge management for solar-driven redox transformations.

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Cite This Study

Shi et al. (2026) studied this question.

synapsesocial.com/papers/69897a06f0ec2af6756e8360https://doi.org/10.1002/adma.202522711
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