Published: Jan. 1, 2024
Language: Английский
Published: Jan. 1, 2024
Language: Английский
Advanced Energy Materials, Journal Year: 2024, Volume and Issue: 14(42)
Published: Sept. 25, 2024
Abstract Using low and optimized magnetic field along with electric is a novel strategy to facilitate electrochemical nitrite reduction reaction (NO 2 RR). Herein, the assisted electrocatalytic ammonia synthesis employing spin‐thrusted β‐MnPc at 95 mT explored. The calculated rate of generation 16603.4 µg h −1 mg cat , which almost twice that nonpolarized manganese phthalocyanine (MnPc) catalyst. Additionally, Faradaic efficiency (FE) –0.9 V versus RHE found be 92.9%, significantly higher compared MnPc In presence external field, catalysts provide better electron transfer channel results in lower charge resistance hence performances. Density functional theory (DFT) result further verifies induced has potential barrier (0.51 eV) for protonation NO* than (1.08 eV), confirms enhanced ammonia.
Language: Английский
Citations
15Chemical Communications, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Structural transformation of electrocatalyst contributes to its catalytic activity and selectivity. Properly guided stabilized offers enhanced catalyst performance, while unregulated surface reconstruction may lead deactivation.
Language: Английский
Citations
1Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 160522 - 160522
Published: Feb. 1, 2025
Language: Английский
Citations
1Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 106023 - 106023
Published: Feb. 1, 2025
Language: Английский
Citations
1Chemical Science, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
The orientation of β-CuPc favours the overlap central Cu with N parallel molecules, which is reason behind high electrical conductivity and selectivity in NH 3 production via nitrate reduction, impossible other polymorphs.
Language: Английский
Citations
1Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 19, 2025
Abstract Electrocatalytic N 2 oxidation reaction (NOR) is an environmentally sustainable approach to synthesize NO 3 − under mild conditions. Inspired by the ferriporphyrin (FePP) catalytic species in nitrite oxidoreductase, three FePP‐based biomimetic catalysts with different functional groups (─NH , ─H, and ─COOCH ) are designed prepared successfully. Theoretical calculations indicate that these can alter electron density of Fe center, affecting their ability adsorb activate . The strong electron‐donating ─NH group enhance iron sites, which reveals a maximum yield 728.55 µmol h −1 g FePP high Faradaic efficiency 10.6%. After that, optimized molecules be encapsulated into ZIF‐8, remarkably promoted ─to─NO transformation production rate 1767.74 achieving highest effect among metalloporphyrin‐based molecular This work develops available modulate distribution active metal sites confine porous crystalline materials for constructing high‐performance NOR electrocatalysts.
Language: Английский
Citations
0Advanced Energy Materials, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 26, 2025
Abstract Achieving close integration and strong electronic communication between molecular catalysts conductive substrates is crucial for developing the stability catalytic activity of nanomaterials. However, constructing heterostructure catalyst usually need complex demanding synthesis processes. Herein, a facile universal “molecular nanojunction” strategy developed to prepare with high by improving coplanarity nanojunction facilitating efficient electron transfer. The density function theory (DFT) calculations in situ characterization indicate that reduces excessive * OH adsorption accelerates deprotonation process, thereby promoting oxygen generation. shows better evolution reaction (OER) performance than most reported catalysts. What's more, are applied alkaline anion exchange membrane (AEM) electrolysis cells, exhibiting excellent performance.
Language: Английский
Citations
0Environmental Science & Technology, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 18, 2025
Understanding the structure–activity relationship on a solid surface is crucial for developing an efficient low-temperature NH3–SCR catalyst. Herein, in-depth investigation was conducted single-atom Mn-doped α-Fe2O3 catalyst by combining experimental studies and density functional theory calculations. Mn doping not only facilitates N–H cleavage in Eley–Rideal (E–R) pathway but also promotes adsorption of NO N–O bond, lowering energy barrier rate-determining step Langmuir–Hinshelwood (L–H) pathway. Thus, catalytic reaction along both potential pathways, which reaction. Further analysis reveals that introduces unoccupied dxy orbital, interaction with π orbital NO, thereby augmenting adsorption. Moreover, redistributes electron density, enhancing flexibility electrons Fe atom facilitating transfer from to π* Mn–N–O, thus promoting cleavage. The present study demonstrates incorporation d orbitals appropriate symmetry d-π between dopant reactant, significantly efficiency. These findings provide valuable new insights into design high-performance catalysts.
Language: Английский
Citations
0Materials Today Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 100092 - 100092
Published: Feb. 1, 2025
Language: Английский
Citations
0eScience, Journal Year: 2025, Volume and Issue: unknown, P. 100425 - 100425
Published: April 1, 2025
Language: Английский
Citations
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