Selective Nitrogen Reduction Reaction on Single-Atom Centers of Molybdenum-Based MXenes by Pulsing the Electrochemical Potential

Published: Jan. 1, 2025

Electrocatalytic reduction of dinitrogen is a promising route for sustainable production ammonia, although the selectivity challenge competing nitrogen (NRR) and hydrogen evolution reactions in aqueous electrolytes has not yet been solved. Single-atom catalysts (SACs) offer hope bridging this gap because they exhibit unique electronic structure reactivity catalytic transformations compared to conventional bulk materials. In addition, potential pulse experiments have shown that promote formation kinetically unfavorable products by efficiently modulating electrolyte at solid-liquid interface. So far, combination SACs NRR mutually exclusive, since are likely be degraded during anodic due metal dissolution. Using density functional theory calculations grand canonical framework, we demonstrate present communication molybdenum-based MXenes able overcome limitation: traditional SACs, form single-atom centers pulse, their SAC-like allows directed ammonia instead gaseous cathodic pulse. Our study paves way development high-performance materials with in-situ formed sites enable advances selective under applied bias.

Language: Английский

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Unveiling the Nature of High Catalytic Activity of the Zr₁@Mo₂TiC₂ Single-Atom Catalyst for N₂-to-NH₃ Thermal Conversion

ACS Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 5447 - 5456

Published: March 19, 2025

Language: Английский

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Selective nitrogen reduction reaction on single-atom centers of molybdenum-based MXenes by pulsing the electrochemical potential

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

Published: April 1, 2025

Language: Английский

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Steering Intrinsic Activity in Electrochemical Nitrogen Reduction Reaction by Coupling Catalytic Resonance Theory and Breaking Scaling Relation

Electrochimica Acta, Journal Year: 2025, Volume and Issue: unknown, P. 146391 - 146391

Published: May 1, 2025

Language: Английский

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