Interfacial Electronic Interactions Between Ultrathin NiFe‐MOF Nanosheets and Ir Nanoparticles Heterojunctions Leading to Efficient Overall Water Splitting

Advanced Science, Journal Year: 2024, Volume and Issue: 11(28)

Published: April 26, 2024

Abstract Creating specific noble metal/metal‐organic framework (MOF) heterojunction nanostructures represents an effective strategy to promote water electrolysis but remains rather challenging. Herein, a electrocatalyst is developed by growing Ir nanoparticles on ultrathin NiFe‐MOF nanosheets supported nickel foam (NF) via readily accessible solvothermal approach and subsequent redox strategy. Because of the electronic interactions between nanosheets, optimized Ir@NiFe‐MOF/NF catalyst exhibits exceptional bifunctional performance for hydrogen evolution reaction (HER) ( η 10 = 15 mV, denotes overpotential) oxygen (OER) 213 mV) in 1.0 m KOH solution, superior commercial recently reported electrocatalysts. Density functional theory calculations are used further investigate shedding light mechanisms behind enhanced HER OER performance. This work details promising design development efficient electrocatalysts overall splitting.

Language: Английский

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Urea Electrosynthesis Accelerated by Theoretical Simulations

Advanced Functional Materials, Journal Year: 2023, Volume and Issue: 34(14)

Published: Dec. 27, 2023

Abstract Urea is not only a primary fertilizer in modern agriculture but also crucial raw material for the chemical industry. In past hundred years, prevailing industrial synthesis of urea heavily relies on Bosch–Meiser process to couple NH 3 and CO 2 under harsh conditions, resulting high carbon emissions energy consumption. The conversion carbon‐ nitrogen‐containing species into through electrochemical reactions ambient conditions represents sustainable strategy. Despite increasing reports electrosynthesis, comprehensive review that delves profound, atomic‐level comprehension fundamental reaction mechanisms currently absent. this Perspective, recent advancements from /CO various nitrogenous (i.e., N , NO x − NO) are presented, with special emphasis theoretical understanding C─N coupling mechanisms. Several key strategies facilitate then pinpointed, which enhance their applicability practical experiments highlight significant progress achieved field. At end, major obstacles potential opportunities advancing electrosynthesis accelerated by simulations situ techniques discussed. This hoped act as roadmap ignite fresh insights inspiration development electrocatalytic synthesis.

Language: Английский

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Thermal evaporation-driven fabrication of Ru/RuO₂ nanoparticles onto nickel foam for efficient overall water splitting

Nanoscale, Journal Year: 2024, Volume and Issue: 16(13), P. 6662 - 6668

Published: Jan. 1, 2024

A self-supported substrate material of Ru/NF could be obtained by a two-stage metal–organic thermal evaporation strategy. The synergistic effect between Ru and RuO 2 species greatly promotes water splitting.

Language: Английский

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Screening of Transition Metal Supported on Black Phosphorus as Electrocatalysts for CO₂ Reduction

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(2), P. 1035 - 1045

Published: Jan. 3, 2024

The electrocatalytic CO2 reduction (CO2RR) is an effective and economical strategy to eliminate through conversion into value-added chemicals fuels. However, exploring screening suitable 2D material-based single-atom catalysts (SACs) for are still a great challenge. In this study, 27 (3d, 4d, 5d, except Tc Hg) transition metal (TM) atom-doped black phosphorus (TM@BP) electrocatalysts were systematically investigated CO2RR by density functional theory calculations. According the stability of SACs their effectiveness in activating molecule, three promising catalysts, Zr@BP, Nb@BP, Ru@BP, successfully screened out, exhibiting outstanding catalytic activity production carbon monoxide (CO), methyl alcohol (CH3OH), methane (CH4) with limiting potentials −0.79, −0.49, −0.60 V, respectively. A relationship between d-band centers potential was used estimate catalysts. Furthermore, Nb@BP has high selectivity CH3OH compared H2 formation, while hydrogen evolution reaction significantly impacts synthesis CO CH4 on Zr@BP Ru@BP. Nitrogen atom doping BP beneficial enhancing CO2RR, but it detrimental CO2RR. This study offers theoretical guidance synthesizing highly efficient further enhances structural modulation methods layered materials.

Language: Английский

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Understanding the size effect of supported Fe catalysts for electrochemical C–N coupling: From single atom to cluster

Materials Today Chemistry, Journal Year: 2025, Volume and Issue: 46, P. 102741 - 102741

Published: May 6, 2025

Language: Английский

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Synthesis, characterizations, and structure-activity relationship of dual-atom catalysts for CO2 electroreduction

DeCarbon, Journal Year: 2025, Volume and Issue: unknown, P. 100112 - 100112

Published: May 1, 2025

Language: Английский

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Density functional theory study of CO2 adsorption on metal (M=Li, Al, K, Ca) doped MgO

Molecular Catalysis, Journal Year: 2023, Volume and Issue: 553, P. 113708 - 113708

Published: Nov. 24, 2023

Language: Английский

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Theoretical study of transition metal-doped β₁₂ borophene as a new single-atom catalyst for carbon dioxide electroreduction

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(19), P. 14407 - 14419

Published: Jan. 1, 2024

The electrocatalytic carbon dioxide reduction reaction (CO

Language: Английский

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Screening of highly efficient electrocatalysts for hydrogen peroxide synthesis using single transition metal atoms embedded in carbon vacancy fullerene C60

Chemical Engineering Science, Journal Year: 2024, Volume and Issue: 300, P. 120571 - 120571

Published: July 27, 2024

Language: Английский

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Designing an optical sensor with exceptional sensitivity and specificity for the detection of ultra-trace amounts of boron

Analytical Sciences, Journal Year: 2025, Volume and Issue: unknown

Published: March 14, 2025

A specialized optical chemical sensor for boron detection was designed using a polymer inclusion membrane (PIM). This unique relies on an encapsulation method to create its membrane. The components involved in this include azomethine H (AMH) as the reactive agent, polyvinyl chloride foundational polymer, and dinonylnaphthalene sulphonic acid (DNNS) extraction agent within PIM structure. Various parameters, such thickness, concentration of AMH DNNS, plasticizer proportions, stirring dynamics, pH solution under study, significantly affected sensor's performance. Within range spanning 4.0–116 ng mL−1 boron, demonstrated strong linear relationship with quantification thresholds 1.25 3.94 mL−1, respectively. peak absorption wavelength (λmax) PIM-based identified at 424 nm. Moreover, displayed reproducibility (RSD) 1.65% repeatability RSD 1.43%, coupled swift response time approximately 3.0 min. selectivity tested against acidic environments. proposed effectively detected diverse samples water, vegetation, soil, ceramic samples, findings corroborated by AAS technique.

Language: Английский

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