Substitution and coordination effects of boron in Fe C and Fe N C single-atom catalysts for ORR: A DFT study

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115192 - 115192

Published: March 1, 2025

Language: Английский

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Machine learning descriptor-assisted exploration of metal-modified graphene hydrogen storage materials

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 119, P. 45 - 55

Published: March 20, 2025

Language: Английский

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Orbital hybridizations in single-atom catalysts for electrocatalysis

Science Bulletin, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

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Spin regulation in M-N-C single-atom catalysts for enhanced oxygen reduction reaction performance: a perspective

Science Bulletin, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

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Engineering the regulation strategy of active sites to explore the intrinsic mechanism over single‑atom catalysts in electrocatalysis

Journal of Colloid and Interface Science, Journal Year: 2025, Volume and Issue: 693, P. 137595 - 137595

Published: April 14, 2025

Language: Английский

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D-band center modulation of atomic dispersed FeNx sites by incorporating Co9S8 nanoparticles towards agumented ORR/OER electrocatalysis in Zn-air batteries

Materials Today Physics, Journal Year: 2025, Volume and Issue: unknown, P. 101728 - 101728

Published: April 1, 2025

Language: Английский

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Yolk-shell structured ultra-small Fe3C nanoparticles encapsulated in S, N-codoped porous carbon as effective catalysts for the oxygen reduction reaction in microbial fuel cells

Journal of Power Sources, Journal Year: 2025, Volume and Issue: 644, P. 237058 - 237058

Published: April 18, 2025

Language: Английский

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Investigation of a Novel Depressant for Flotation Separation of Chalcopyrite and Galena: Experiments and Adsorption Mechanisms

Minerals, Journal Year: 2025, Volume and Issue: 15(5), P. 454 - 454

Published: April 27, 2025

To reduce lead content in copper concentrates, this study developed a novel galena depressant, TA (thioureidoacetic acid). This utilizes synthetic mineral feed with fully liberated and chalcopyrite from separate sources to establish baseline separation conditions. The adsorption capability of on surfaces was systematically investigated through micro-flotation tests, surface characterization, first-principles calculations. Results demonstrate that effectively reduces recovery (from 82.92% 12.29%) without compromising flotation efficiency (>83.2% recovery) when using thionocarbamate (Z200) as the collector. FTIR XPS analyses confirm chemisorbs onto via its C=S C=O functional groups. First-principles calculations reveal dual Pb-S Pb-O bond formation during adsorption, resulting stronger interfacial binding energy compared Z200. work establishes molecular engineering framework for designing high-selectivity depressants.

Language: Английский

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Asymmetric High-Coordination Co-NSP Single-Atom Catalysts with Tailored d-p-Orbital Electron Structure for Efficient Bifunctional Catalyst of Rechargeable Zn-Air Battery Cathodes

Applied Catalysis B Environment and Energy, Journal Year: 2024, Volume and Issue: unknown, P. 124889 - 124889

Published: Nov. 1, 2024

Language: Английский

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Integration of Bi in Fe, N co-doped carbon-encapsulated iron carbide nanoparticles for boosting oxygen reduction reaction

Fuel, Journal Year: 2025, Volume and Issue: 388, P. 134503 - 134503

Published: Jan. 28, 2025

Language: Английский

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