Tandem Active Sites in Cu/Mo‐WO₃ Electrocatalysts for Efficient Electrocatalytic Nitrate Reduction to Ammonia

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

Published: Jan. 5, 2025

Abstract Electrocatalytic NO 3 − reduction to NH is a promising technique for both ammonia synthesis and nitrate wastewater treatment. However, this conversion involves tandem processes of H 2 O dissociation hydrogenation, leading inferior Faraday efficiency (FE) yield rate. Herein, catalyst by anchoring atomically dispersed Cu species on Mo‐doped WO (Cu 5 /Mo 0.6 ‐WO ) the RR constructed, which achieves superior FE N 98.6% rate 26.25 mg h −1 cat at −0.7 V (vs RHE) in alkaline media, greatly exceeding performance Mo /WO counterparts. Systematic electrochemical measurement results reveal that promoted activation sites, accompanying accelerated water producing active hydrogens are responsible performance. In situ infrared spectroscopy theoretical calculation further demonstrate sites accelerate , dopant activates adjacent resulting decreased energy barrier * stepwise hydrogenation processes, making thermodynamically favorable. This work demonstrates critical role atomic level enhancing electrocatalytic paving feasible avenue developing high‐performance electrocatalysts.

Language: Английский

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Transition metal-anchored BN tubes as single-atom catalysts for NO reduction reaction: A study of DFT and deep learning

Fuel, Journal Year: 2025, Volume and Issue: 386, P. 134302 - 134302

Published: Jan. 7, 2025

Language: Английский

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Selective Urea Electrosynthesis from Nitrate and CO₂ on Isolated Copper Alloyed Ruthenium

ACS Energy Letters, Journal Year: 2024, Volume and Issue: 9(9), P. 4624 - 4632

Published: Aug. 30, 2024

Urea electrosynthesis by coelectrolysis of NO3– and CO2 (UENC) represents a promising method to enable efficient sustainable urea production. In this work, isolated Cu alloyed Ru (Cu1Ru) is developed as highly active selective UENC catalyst. Combined theoretical computations in situ spectroscopic measurements reveal the synergistic effect Cu1–Ru site Ru–Ru on Cu1Ru promote via tandem catalysis pathway, which drives *NO2/CO2 coupling followed *CO2NO2-to-*CO2NH step. The formed *CO2NH then migrates from adjacent promotes *CO2NH⃗*CO2NH2 → *COOHNH2 steps toward generation. Impressively, achieves high performance flow cell, exhibiting yield rate 21.04 mmol h–1 gcat–1 Faradaic efficiency 51.27% at −0.6 V, outperforming most reported catalysts.

Language: Английский

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Electrocatalytic Urea Production with Nitrate and CO₂ on a Ru‐Dispersed Co Catalyst

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 12, 2024

Abstract Urea electrosynthesis from co‐electrolysis of NO 3 − and CO 2 (UENC) provides an alternative route for realizing efficient sustainable urea production. In this work, single‐atom Ru dispersed on Co (Ru 1 Co) is demonstrated as effective robust catalyst the UENC. situ spectroscopic measurements theoretical simulations unravel cooperative effect sites to promote UENC process via a tandem catalysis mechanism, where site activates adsorption hydrogenation form * NH , while hydrogenation/deoxygenation CO. The generated then transferred nearby which promotes C─N coupling toward formation. Strikingly, assembled in flow cell shows highest urea‐Faradaic efficiency 50.1% with corresponding yield rate 22.34 mmol h −1 g at −0.5 V (RHE), superior most reported catalysts

Language: Английский

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Emerging Role of p‐Block Element in Catalyzing Electrochemical NO_x Reduction to Ammonia: A Theoretical Perspective

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(40)

Published: May 14, 2024

Abstract Fixing earth‐abundant nitrogen elements into essential compounds is one of the ultimate issues for mankind. Electrochemical fixation regarded as promising to replace Haber‐Bosch (HB) process at current stage. However, direct N 2 found skeptical recently due stable chemical properties molecule. In this regard, more reactive oxides (NO x ) species came light an alternative sources. Since NO most prevalent pollutants in wastewater, it also desired that reduction can transform these detrimental ingredients value‐added products such ammonia. Like other reactions, performance electrochemical ammonia (eNO RA) has a strong relation with catalysts. Previously, catalyst design eNO RA dominantly based on transition metals. The role p‐block not fully realized until very recent years. perspective, up‐to‐date advances p‐block‐contained catalysts are concluded, specifically classified and discussed. Several strategies introduced delicately investigate interaction between species. At end, some dilemmas potential opportunities proposed achieve comprehensive understanding toward developing high‐efficient electrocatalyst RA.

Language: Английский

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Role of electrons and H* in electrocatalytic nitrate reduction to ammonium for CuNi Alloy

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 54, P. 105308 - 105308

Published: Oct. 21, 2024

Language: Английский

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Tuning C─N Coupling Mode by Cu─In Dual Metal Sites in Covalent Organic Framework for Enhanced Urea Electrosynthesis

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

Published: Jan. 28, 2025

Abstract Electrochemical conversion of CO 2 and NO 3 − to high value‐added urea is a win–win strategy for both resources the environment. However, yield rate selectivity are still low. In this work, Cu metals grafted into interlayers an imine‐linked covalent organic framework (COF) form stable Cu─In dual metal sites by strong coordination hydroxyl O imine N atoms in framework. It found that optimal CuIn 1.07 ‐COF electrocatalyst exhibits impressive 2924.4 µg h −1 mg Faradaic efficiency (FE) 54.7% H‐cell, which surpasses most previously reported catalysts electrosynthesis. situ spectroscopy theoretical calculations reveal due stronger electronic interaction between In, * NH intermediate generated on site from reduction, then couples with neighbor produce lower energy barrier, effectively promotes electrochemical co‐reduction urea. The work provides new clues understanding structure‐performance relationship

Language: Английский

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Modifying Microenvironment in Van der Waals Gap by Cu/N Co‐Doping Strategy for Highly Efficient Nitrite Reduction to Ammonia

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

Published: Feb. 24, 2025

Abstract Electroreduction of nitrite to ammonia has significant promise for economical NH 3 electrosynthesis and wastewater treatment. Herein, sulfur vacancies rich Cu─N co‐doped SnS 2 nanosheet is designed as a highly active durable NO RR catalyst. Benefiting from the strategy, Cu/N‐SnS 2‐x achieves highest yield rate 18.15mg h −1 mg cat at −0.935 V (vs RHE) excellent Faradaic Efficiency 95.73% −0.835 RHE). In situ FT‐IR in XPS proves that greater capacity atomic hydrogen generation, which facilitates conversion maintains structural stability during process. Theoretical calculations reveal introduced effectively expose metal atoms inside make them adsorb efficiently, accelerates transformation ammonia. Besides, Cu N can form new electronic structure, induces an electron‐deficient state promotes adsorption reaction intermediates on Cu, reduces energy barrier reduction surface. The current exploration presents fresh prospects rational development effective electrocatalyst synthesizing nitrite.

Language: Английский

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Theoretical insights of nitrate reduction to ammonia on partially reduced In2O3 surfaces

Molecular Catalysis, Journal Year: 2025, Volume and Issue: 577, P. 114991 - 114991

Published: March 6, 2025

Language: Английский

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Comparison of the Catalytic Properties of Pt and Co Cathodes for the Nitrite Reduction Reaction to Ammonia

Russian Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: 99(1), P. 105 - 110

Published: Jan. 1, 2025

Language: Английский

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