Tunable N₂ Fixation Enabled by Ferroelectric Switching in Doped Graphene/In₂Se₃ Dual-Atom Catalysts

ACS Applied Materials & Interfaces, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 27, 2025

The electrochemical nitrogen reduction reaction (NRR) provides a sustainable alternative to ammonia synthesis. However, the development of catalysts with high activity and selectivity under ambient conditions remains significant challenge. In this work, we propose class dual-atom (DACs), consisting two metal atoms embedded in nitrogen-doped porous graphene (M2NPG) supported on ferroelectric α-In2Se3 monolayer. Using density functional theory (DFT) calculations, explore effect polarization switching structural stability, catalytic performance, mechanisms these DACs. By computationally screening 27 as active sites, identify four promising candidates (V, Co, Ru, Ta) V2NPG@In2Se3 standing out due its exceptional properties. precise control NRR pathways, along tunable limiting potentials selective product formation, can be achieved through combination low potential, abundant behavior, against hydrogen evolution (HER) highlights potential traditional single-atom catalysts. This work demonstrates versatile strategy for integrating DACs materials, offering valuable insights into designing next-generation beyond.

Language: Английский

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Techno-economic assessment of green ammonia and hydrogen distribution from offshore wind farms to European ports

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

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Harnessing the power of nano-adsorbents for sustainable ammonia economy

Renewable and Sustainable Energy Reviews, Journal Year: 2025, Volume and Issue: 217, P. 115718 - 115718

Published: April 14, 2025

Language: Английский

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Compact Temporal Causal Algorithm for Modeling Prediction in the Green Ammonia Production Process

Chemical Engineering & Technology, Journal Year: 2025, Volume and Issue: unknown

Published: April 21, 2025

Abstract Because of the complexity green ammonia production, identifying useful information from massive data to construct a streamlined and interpretable prediction model is challenge. This paper proposed an improved transfer entropy method enhanced in capturing causal relationships between variables. Furthermore, compact temporal identification algorithm was introduced, combining direct identification. integrates advantages both methods, enabling rapid clear pathways high‐dimensional variable spaces. In industrial validation actual process, average number predictive variables based on temporal‐dependent Markov blankets were 3.341 10.171, respectively, yielding accuracies ( R 2 ) 0.887 0.905. The provides new solutions for modeling processes.

Language: Английский

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Retrofit of floating storage and regasification units for ammonia and hydrogen: Material selection, thermal analysis, and boil-off gas utilization

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

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Biomass-derived carbon quantum dots from Chlorella vulgaris: Photocatalytic reduction of malachite green dye coupled with anti-quorum sensing and antimicrobial activity against food pathogens

Food Bioscience, Journal Year: 2024, Volume and Issue: 62, P. 105272 - 105272

Published: Oct. 10, 2024

Language: Английский

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Green ammonia synthesis technology that does not require H2 gas: Reaction technology and prospects for ammonia synthesis using H2O as a direct hydrogen source

Current Opinion in Green and Sustainable Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 100980 - 100980

Published: Oct. 1, 2024

Language: Английский

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Insight into the effect of support properties on DBD plasma-catalytic NH3 synthesis over Ru-Co bimetallic catalysts

Fuel, Journal Year: 2024, Volume and Issue: 382, P. 133802 - 133802

Published: Nov. 21, 2024

Language: Английский

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