Insights into C–N Bond Formation through the Coreduction of Nitrite and CO2: Guiding Selectivity Toward C–N Bond DOI
Mohammadreza Karamad

ACS Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 8497 - 8510

Published: May 6, 2025

Language: Английский

Predicting electrocatalytic urea synthesis using a two-dimensional descriptor DOI Creative Commons
Amy Wuttke, Alexander Bagger

Communications Chemistry, Journal Year: 2025, Volume and Issue: 8(1)

Published: Feb. 3, 2025

Electrochemical synthesis routes powered by renewable electricity can provide sustainable chemical commodities replacing conventional fossil-based processes. Increasing research focuses on value-added chemicals like the indispensable fertilizer urea, which also constitutes a study case for electrochemical CN-coupling. To guide identification of highly selective catalysts, we aim to new insight analysing existing experimental data selectivity transition metal catalysts towards electrochemically synthesized urea. Firstly, project high dimensional using principal component analysis (PCA) lower dimensions, and thereby confirm that urea is correlated with CO NH3. Furthermore, identified most suitable two-dimensional descriptors prediction out various adsorption energies calculated density functional theory (DFT). We suggest *H *O slabs predict in co-reduction CO2 nitrite ( NO2- ).

Language: Английский

Citations

1
Deciphering Indirect Nitrite Reduction to Ammonia in High‐Entropy Electrocatalysts Using In Situ Raman and X‐ray Absorption Spectroscopies DOI
Talshyn Begildayeva,

Jayaraman Theerthagiri,

Wanwisa Limphirat

et al.

Small, Journal Year: 2024, Volume and Issue: 20(29)

Published: April 11, 2024

This research adopts a new method combining calcination and pulsed laser irradiation in liquids to induce controlled phase transformation of Fe, Co, Ni, Cu, Mn transition-metal-based high-entropy Prussian blue analogs into single-phase spinel oxide face-centered cubic alloy (HEA). The synthesized HEA, characterized by its highly conductive nature reactive surface, demonstrates exceptional performance capturing low-level nitrite (NO

Language: Английский

Citations

7
Electrochemical strategies for urea synthesis via C–N coupling of integrated carbon oxide–nitrogenous molecule reduction DOI
Jayaraman Theerthagiri, K. Karuppasamy, Gilberto Maia

et al.

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(32), P. 20691 - 20716

Published: Jan. 1, 2024

This work highlights the electrocatalytic C–N coupling for urea synthesis, addressing CO 2 and nitrogenous molecule reduction. It tackles challenges in inert activation, side reactions, mechanistic insights, catalyst development.

Language: Английский

Citations

6
Selective Synthesis of Organonitrogen Compounds via Electrochemical C–N Coupling on Atomically Dispersed Catalysts DOI
Yang Liu, Xiao-Yong Yu, Xintong Li

et al.

ACS Nano, Journal Year: 2024, Volume and Issue: 18(35), P. 23894 - 23911

Published: Aug. 20, 2024

The C-N coupling reaction demonstrates broad application in the fabrication of a wide range high value-added organonitrogen molecules including fertilizers (e.g., urea), chemical feedstocks amines, amides), and biomolecules amino acids). electrocatalytic pathways from waste resources like CO

Language: Английский

Citations

6
New lightweight high-entropy alloy coatings: Design concept, experimental characterization, and high-temperature oxidation behaviors DOI

Jianyan Xu,

Wenping Liang, Qiang Miao

et al.

Surface and Coatings Technology, Journal Year: 2024, Volume and Issue: 491, P. 131154 - 131154

Published: July 24, 2024

Language: Английский

Citations

4
Multiple active site metal-based catalysts for C-N coupling reactions and the beyond DOI

Mingzheng Shao,

Yangbo Ma, Yuecheng Xiong

et al.

Next Materials, Journal Year: 2025, Volume and Issue: 8, P. 100555 - 100555

Published: Feb. 21, 2025

Language: Английский

Citations

0
Catalyst and gas diffusion electrode design toward C–N coupling for urea electrosynthesis DOI Creative Commons
Jiping Sun, Bichao Wu, Guangchao Li

et al.

eScience, Journal Year: 2025, Volume and Issue: unknown, P. 100425 - 100425

Published: April 1, 2025

Language: Английский

Citations

0
Catalytic CO−O coupling on high-entropy alloys: A composition optimization dependent on the reaction assumptions DOI
Jack K. Pedersen,

Giona Mainardis,

Jan Rossmeisl

et al.

Journal of Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 115983 - 115983

Published: Jan. 1, 2025

Language: Английский

Citations

0
Electrode–Electrolyte Engineering and In Situ Spectroscopy for Urea Electrosynthesis from Carbon Dioxide and Nitrate Co-Reduction DOI Creative Commons
Gabriel F. Costa, María Escudero‐Escribano

JACS Au, Journal Year: 2025, Volume and Issue: unknown

Published: April 3, 2025

The biogeochemical cycles of carbon and nitrogen are globally disturbed due to the intensive use fossil fuels fertilizers, which is reflected by accumulation dioxide in atmosphere nitrate water streams. co-electroreduction a promising low-carbon alternative for urea synthesis that would help reestablish both cycles. This Perspective highlights importance rational catalyst electrolyte engineering enable electrochemical synthesis. Although field has gained significant attention over past few years, fundamental research under well-defined conditions remains underexplored. We highlight investigating structure-sensitivity effects on C-N coupling through complementary situ spectroscopy online techniques. Model studies, including surface-sensitive investigations, will be crucial understand molecular mechanisms thus rationally design more efficient systems electrosynthesis, paving way their scalable industrial applications.

Language: Английский

Citations

0
Insights into C–N Bond Formation through the Coreduction of Nitrite and CO2: Guiding Selectivity Toward C–N Bond DOI
Mohammadreza Karamad

ACS Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 8497 - 8510

Published: May 6, 2025

Language: Английский

Citations

0