Advances in Atomically Dispersed Catalysts for Water Splitting

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 10, 2025

Abstract Currently, atomically dispersed catalysts (ADCs), including single‐atom (SACs), dual‐atom (DACs), and triple‐atom (TACs), have become the hot topic in heterogeneous catalysis field since they exceptional atomic efficiency catalytic performance various reactions. In this review, recent advances ADCs for overall water splitting are summarized, SACs, DACs, TACs. First, mechanisms of HER OER reactions electrocatalysis, photocatalysis, thermocatalysis presented. Second, (including OER) on with different supports systematically reviewed. Third, new novel proposed to design splitting, tandem catalysts, frustrated Lewis pairs (FLP), SAC+FLP, so on. Finally, prospective a summary as well challenges opportunities outlined, which provide insights into future development high‐performance clean sustainable energy production.

Язык: Английский

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Thermodynamic stability, catalytic activity, kinetics and electronic properties of Polyoxometalate (TM@V-POM) for efficient electrochemical hydrogen evolution reactions: A DFT understanding

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 117, С. 1 - 11

Опубликована: Март 13, 2025

Язык: Английский

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Dynamic Structural Evolution of Single-Atom Catalysts at the Catalyst–Electrolyte Interface: Insights from Electrochemical Coupled Field

Nano Letters, Год журнала: 2025, Номер unknown

Опубликована: Апрель 7, 2025

Dynamic catalytic structures at the catalyst-electrolyte interface pose significant challenges in accurately identifying active sites and establishing precise structure-activity relationships essential for catalyst design performance optimization. Herein, we unveil dynamic structural evolution of Cu-N-C single-atom catalysts (SACs) under electrochemical conditions, elucidating critical role coupled field. Using hybrid-solvation constant potential simulations, identify that unique dx2-y2 orbital occupancy Fermi level, stemming from copper's d9 electronic configuration, renders Cu-N bonds highly sensitive to external voltage. Proton transfer (PT) triggers reordering converts discrete energy levels into continuous states near enhancing charge accumulation antibonding state. Consequently, are weakened, ultimately leading copper atom leaching. Our work provides a fundamental understanding SACs' dynamics realistic environments, offering new insights rational robust electrocatalysts.

Язык: Английский

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Engineering the regulation strategy of active sites to explore the intrinsic mechanism over single‑atom catalysts in electrocatalysis

Journal of Colloid and Interface Science, Год журнала: 2025, Номер 693, С. 137595 - 137595

Опубликована: Апрель 14, 2025

Язык: Английский

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