Using a Single-Atom FeN4 Catalyst on Defective Graphene for the Efficient Reduction of NO to Alanine: A Computational Study DOI Open Access
Yu Tian, Xiaoxi Yuan,

Zexuan Guo

et al.

Catalysts, Journal Year: 2024, Volume and Issue: 14(12), P. 876 - 876

Published: Nov. 30, 2024

The use of a single-atom FeN4 catalyst on defective graphene (Fe-NC) has recently emerged as an effective method for the synthesis amino acids. Herein, we investigated mechanism alanine formation FeN4-doped using comprehensive density functional theory (DFT) computations. reaction begins with activation NO molecules surface, followed by their hydrogen atoms provided in system. computational results show that can be effectively activated Fe-NC, facilitating subsequent at relatively lower potential. potential-limiting step production involves either HNO* or HNOH* intermediates Fe-NG, free energy changes (ΔG) these two elementary steps are nearly equivalent. Notably, exhibits higher (Ea) compared to formation. This study provides valuable insights into C–N coupling and acid catalysts.

Language: Английский

Electrocatalytic Reductive Amination of Aldehydes and Ketones with Aqueous Nitrite DOI
Conor L. Rooney, Qi Sun, Bo Shang

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: March 10, 2025

The electrocatalytic utilization of oxidized nitrogen waste for C-N coupling chemistry is an exciting research area with great potential to be adopted as a sustainable method generation organonitrogen molecules. most widely used reaction reductive amination. In this work, we develop alternative electrochemical amination that can proceed in neutral aqueous electrolyte nitrite the nitrogenous reactant and via oxime intermediate. We selection criterion reduction electrocatalysts suited electrosynthesis and, doing so, find Pd highly efficient catalyst reaction, reaching Faradaic efficiency 82% at -0.21 V vs reversible hydrogen electrode. aliphatic or aromatic structure carbonyl impacts efficacy catalyst, substrates leading suppressed formation detrimental alcohol. developed Pb/PbO electrocatalyst selectively performs electrolyte. With acetone model substrate, demonstrate one-pot, two-step conversion isopropyl amine 85% yield 50% global efficiency.

Language: Английский

Citations

1
Upgrading of nitrate to hydrazine through cascading electrocatalytic ammonia production with controllable N-N coupling DOI Creative Commons
Shunhan Jia, Libing Zhang,

Hanle Liu

et al.

Nature Communications, Journal Year: 2024, Volume and Issue: 15(1)

Published: Oct. 3, 2024

Language: Английский

Citations

6
Nitrite: From Application to Detection and Development DOI Creative Commons

Haoneng Li,

Yang Song,

Baoqing Zhou

et al.

Applied Sciences, Journal Year: 2024, Volume and Issue: 14(19), P. 9027 - 9027

Published: Oct. 6, 2024

Nitrite, a collective term for group of inorganic compounds containing nitrite ions (NO2−), is widely present in the natural environment and human body. It has wide range applications medical, food environmental fields, such as additives, water treatment agents drugs. However, excessive intake poses indirect carcinogenic, teratogenic mutagenic risks to humans. With in-depth study functional properties nitrite, there an increasing demand accurate efficient methods its detection. This paper presents review detection which will cover different principles technologies, including traditional methods, optical electrochemical sensors, biosensors, their prospects. By comparing evaluating it provide references valuable suggestions choosing most suitable scientific selection alternatives nitrite.

Language: Английский

Citations

1
Utilization of Reactive Nitrogen Compounds for Nitrogen Circular Economy DOI Open Access
Tatsuo Kimura

The Chemical Record, Journal Year: 2024, Volume and Issue: 24(8)

Published: Aug. 1, 2024

Nitrogen oxides (NO

Language: Английский

Citations

0
Research Progress of Catalysts with Atomic‐Scale Reactive Sites in Urea Electrosynthesis DOI
Lu Lu, Peng Zhan, Xuehan Chen

et al.

ChemCatChem, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 16, 2024

Abstract Urea (CO(NH 2 ) is the main component of nitrogen‐based fertilizers and widely used in various industries. Until now, urea production conducted under high‐temperature high‐pressure conditions, which involves a considerable carbon footprint. electrosynthesis, powered by renewable energy‐derived electricity, has emerged as sustainable single‐step process for production. The development efficient stable catalysts key to improving efficiency electrosynthesis. In this review, we summarized research progress applications with atomic‐scale reactive sites First, catalytic mechanisms electrosynthesis from CO nitrogenous molecules are discussed. Then, typical electrocatalysts such single‐atom electrocatalysts, dual‐atom clusters, atomic dopants, vacancies, so forth, Furthermore, characterization methods summarized. Finally, challenges suggestions proposed. We hope review can provide some inspiration toward

Language: Английский

Citations

0
Using a Single-Atom FeN4 Catalyst on Defective Graphene for the Efficient Reduction of NO to Alanine: A Computational Study DOI Open Access
Yu Tian, Xiaoxi Yuan,

Zexuan Guo

et al.

Catalysts, Journal Year: 2024, Volume and Issue: 14(12), P. 876 - 876

Published: Nov. 30, 2024

The use of a single-atom FeN4 catalyst on defective graphene (Fe-NC) has recently emerged as an effective method for the synthesis amino acids. Herein, we investigated mechanism alanine formation FeN4-doped using comprehensive density functional theory (DFT) computations. reaction begins with activation NO molecules surface, followed by their hydrogen atoms provided in system. computational results show that can be effectively activated Fe-NC, facilitating subsequent at relatively lower potential. potential-limiting step production involves either HNO* or HNOH* intermediates Fe-NG, free energy changes (ΔG) these two elementary steps are nearly equivalent. Notably, exhibits higher (Ea) compared to formation. This study provides valuable insights into C–N coupling and acid catalysts.

Language: Английский

Citations

0