High-Throughput Screening of Selective Bimetallic Atomic Catalysts for Self-Adaptive Matched Electrochemical Reduction

Nano Letters, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 7, 2025

Due to the impediments of spatial and temporal resolution, comprehension microdynamic processes still remains limited, which seriously hinders advancement catalyst regulating expansion application. Herein, efficient selective bimetallic atomic electrode interface was cultivated via high-throughput screening, achieving self-adaptive parallel electrochemical reduction Cu(II) As(III). Combined in situ X-ray absorption fine structure (XAFS) spectroscopy coordination field theory verified Ni-Cu specific energy level matching promoted by permitted d-d transition also reproduced microscopic dynamic process. Additionally, it discovered that Fe-As bonding barrier smallest potential-determining step (1.40 eV) were derived from linear shift main s p peaks key arsenic intermediates high-energy orbital. This work offers insights into transient reaction dynamics methods theoretical simulations, broadens design multisite catalysts.

Language: Английский

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Atomic-Precision Engineering of Single-Atom Alloy Materials for Green Catalysis and Energy Conversion

ACS Materials Letters, Journal Year: 2025, Volume and Issue: unknown, P. 1654 - 1697

Published: March 31, 2025

Language: Английский

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Synchronization Strategy for Activity and Stability in Fenton‐Like Single‐Atom Catalysis

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 2, 2025

Abstract Single‐atom catalysts (SACs) have garnered significant attention in the applications of environmental remediation based on Fenton‐like systems. Current research single‐atom catalysis often emphasizes catalytic activity and mechanism regulation, while paying limited to simultaneous enhancement both stability—a critical factor for practical scale‐up SACs. This review systematically summarizes recent advances synchronization strategies improving stability catalysis, with a focus design principles mechanisms four key strategies: coordination engineering, confinement effects, carrier substitution, module design. To best knowledge, this represents first comprehensive from perspective concurrent optimization stability. Additionally, auxiliary role machine learning lifecycle assessment (LCA) is evaluated advancing these strategies. By investigating interplay among different support materials, configurations, reaction environments, as well enlarged modules, factors governing stability/activity SACs are highlighted, future directions proposed developing next‐generation high efficiency long‐term durability remediation.

Language: Английский

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Investigation of the synergistic effect between atomically dispersed Mo and oxygen vacancy enriched ZrO2-x clusters for hydrogen production

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 135, P. 586 - 595

Published: May 10, 2025

Language: Английский

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