FeIr Alloy Optimizes the Trade‐Off Between Nitrate Reduction and Active Hydrogen Generation for Efficient Electro‐Synthesis of Ammonia in Neutral Media

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Фев. 10, 2025

Abstract Electrochemically promoted nitrate reduction reaction (NITRR) holds great potential for the “green” synthesis of ammonia (NH 3 ). However, NITRR in neutral media, though close to practical scenario, is often limited by an insufficient supply active hydrogen (*H) due sluggish water cleavage. In this work, it demonstrated that a bimetallic alloy FeIr can optimize trade‐off between and *H formation media. As result, exhibits excellent catalytic performance toward with Faradaic efficiency NH up 97.3% high yield rate 11.67 mg h −1 cm −2 at low working −0.6 V (versus reversible electrode (RHE)), surpassing monometallic catalysts as well majority Fe‐based state‐of‐the‐art. It also found displays remarkable electron rearrangement hetero‐atoms their significant orbital hybridization, which benefits not only but process. Moreover, coupling FeIr‐based methanol oxidation (MOR) results sustainable productions formate combined FE nearly 200% cell‐voltage 2 V. This work thus demonstrates promising strategy designing efficient NITRR.

Язык: Английский

Understanding the Mechanistic Pathways of N2 Reduction to Ammonia on (110) Facets of Transition Metal Carbides

Crystals, Год журнала: 2024, Номер 14(9), С. 770 - 770

Опубликована: Авг. 29, 2024

The conversion of molecular dinitrogen into ammonia under mild conditions is a significant pursuit in chemistry due to its potential for sustainable and clean production. electrochemical reduction N2 offers promising route achieving this goal with reduced energy consumption, utilizing renewable sources. However, the exploration effective electrocatalysts process, particularly at room temperature atmospheric pressure, remains exploration. This study addresses gap by conducting comprehensive investigation catalysts nitrogen electro-reduction ambient conditions. Using density functional theory calculations, we explore (110) facets rock salt structures across 11 transition metal carbides. Catalytic activity evaluated through construction free diagrams associative, dissociative, Mars–van Krevelen reaction mechanisms. Additionally, assess material stability against poisoning decomposition parent metals during operation. Our findings suggest that few candidates are reactions, such as TaC WC, moderate onset potentials (−0.66 V −0.82 vs. RHE)

Язык: Английский

Revolutionizing nitrogen fixation: communicating the potentials of nanostructured photocatalysts for sustainable ammonia/nitrate synthesis

Circular Agricultural Systems, Год журнала: 2024, Номер 4(1), С. 0 - 0

Опубликована: Янв. 1, 2024

Язык: Английский