Elucidation of the mechanistic origin of spin-state-dependent P-doped Fe single-atom catalysts for the oxidation of organic pollutants through peroxymonosulfate activation

Applied Catalysis B Environment and Energy, Journal Year: 2023, Volume and Issue: 341, P. 123289 - 123289

Published: Sept. 14, 2023

Language: Английский

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Multifunctional carbon nitride nanoarchitectures for catalysis

Chemical Society Reviews, Journal Year: 2023, Volume and Issue: 52(21), P. 7602 - 7664

Published: Jan. 1, 2023

Carbon nitrides, with feasibility of tailored band gap via suitable nanoarchitectonics, are deemed as best catalysts amongst existing materials, especially for HER, OWS, COR, NRR, water oxidation, pollutant removal, and organocatalysis.

Language: Английский

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Electrochemical Potential-Driven Shift of Frontier Orbitals in M–N–C Single-Atom Catalysts Leading to Inverted Adsorption Energies

Journal of the American Chemical Society, Journal Year: 2023, Volume and Issue: 145(46), P. 25264 - 25273

Published: Nov. 8, 2023

Electronic structure is essential to understanding the catalytic mechanism of metal single-atom catalysts (SACs), especially under electrochemical conditions. This study delves into nuanced modulation "frontier orbitals" in SACs on nitrogen-doped graphene (N-C) substrates by potentials. We observe shifts Fermi level and changes d-orbital occupation with alterations potentials, emphasizing a synergy between discretized atomic orbitals metals continuous bands N-C based environment. Using O2 CO2 as model adsorbates, we highlight direct consequences these adsorption energies, unveiling an intriguing inversion energies Co/N-C SAC negative Such insights are attributed role dxz dz2 orbitals, pivotal for stabilizing π* O2. Through this exploration, our work offers interplay electronic structures behaviors SACs, paving way enhanced catalyst design strategies processes.

Language: Английский

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State-of-the-art single-atom catalysts in electrocatalysis: From fundamentals to applications

Nano Energy, Journal Year: 2023, Volume and Issue: 113, P. 108570 - 108570

Published: May 29, 2023

Language: Английский

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Dual‐Atomic‐Site Catalysts for Molecular Oxygen Activation in Heterogeneous Thermo‐/Electro‐catalysis

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 62(22)

Published: March 9, 2023

Efficient molecular oxygen activation (MOA) is the key to environmentally friendly catalytic oxidation reactions. In last decade, single-atomic-site catalysts (SASCs) with nearly 100 % atomic utilization and unique electronic structure have been widely investigated for MOA. However, single active site makes effect unsatisfactory difficult deal complex Recently, dual-atomic-site (DASCs) provided a new idea effective of (O2 ) due more diverse sites synergetic interactions among adjacent atoms. this review, we systematically summarized recent research progress DASCs MOA in heterogeneous thermo- electrocatalysis. Finally, look forward challenges application prospects construction

Language: Английский

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Recent advancements on designing transition metal-based carbon-supported single atom catalysts for oxygen electrocatalysis: Miles to go for sustainable Zn-air batteries

Energy storage materials, Journal Year: 2023, Volume and Issue: 61, P. 102890 - 102890

Published: July 18, 2023

Language: Английский

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Metal–support interactions in metal oxide-supported atomic, cluster, and nanoparticle catalysis

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(21), P. 10450 - 10490

Published: Jan. 1, 2024

Supported metal catalysts are essential to a plethora of processes in the chemical industry. The overall performance these depends strongly on interaction adsorbates at atomic level, which can be manipulated and controlled by different constituents active material (

Language: Английский

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Interfacial electron interactions governed photoactivity and selectivity evolution of carbon dioxide photoreduction with spinel cobalt oxide based hollow hetero-nanocubes

Applied Catalysis B Environment and Energy, Journal Year: 2024, Volume and Issue: 345, P. 123705 - 123705

Published: Jan. 6, 2024

Language: Английский

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Distribution of Pt single atom coordination environments on anatase TiO2 supports controls reactivity

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

Published: Feb. 2, 2024

Abstract Single-atom catalysts (SACs) offer efficient metal utilization and distinct reactivity compared to supported nanoparticles. Structure-function relationships for SACs often assume that active sites have uniform coordination environments at particular binding on support surfaces. Here, we investigate the distribution of Pt SAs dispersed shape-controlled anatase TiO 2 supports specifically exposing (001) (101) are found surface, consistent with existing structural models, whereas those beneath surface after calcination. under surfaces exhibit lower CO oxidation than due their limited accessibility gas phase species. deposited commercial-TiO both in bulk, posing challenges structure-function relationship development. This study highlights heterogeneity SA oxide supports, emphasizing a previously overlooked consideration design SACs.

Language: Английский

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Progress in Single/Multi Atoms and 2D‐Nanomaterials for Electro/Photocatalytic Nitrogen Reduction: Experimental, Computational and Machine Leaning Developments

Advanced Energy Materials, Journal Year: 2024, Volume and Issue: 14(28)

Published: Feb. 11, 2024

Abstract The conversion of atmospheric nitrogen (N 2 ) into ammonia (NH 3 ), known as fixation, plays a crucial role in sustaining life on Earth, facing innovation with electrocatalytic and photocatalytic methods. These approaches promise gentler conversions from to ammonia, diverging the energy‐intensive Haber‐Bosch process, which requires complex plant infrastructure. Vitality lies eco‐friendly, cost‐effective, energy‐efficient pathways. challenge is that electrocatalysts photocatalysts for reduction have shown low Faraday efficiency, hampered by hydrogen evolution. This work delves recent strides electro/photo‐catalytic fixation/reduction, deciphering mechanisms, catalysts, prospects. By unveiling core principles steering these processes, it dissects efficiency drivers. Experimental theoretical studies, ranging density functional calculations/simulations machine learning‐based catalyst screening, mark path toward highly efficient including single/multi‐atom catalysts embedded 2D materials. journey explores diverse assessing their performance, spotlighting emerging nanomaterials, heterostructures, co‐catalyst techniques. Perspectives future directions potential applications fixation/reduction are offered, emphasizing sustainable management implications global agriculture environmental sustainability.

Language: Английский

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