Exploring the Active Site and Catalytic Activity of N-Coordinated Ni₂ Dual-Atom Catalysts for Oxygen Reduction Reaction

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

Published: Jan. 16, 2025

Oxygen reduction reaction (ORR) is an indispensable electrochemical in fuel cells. However, the performance of cells has been affected by slack kinetics ORR. Hence, development efficient and affordable electrocatalysts for O2 necessary large-scale commercialization Here, we present a Ni2 dual-atom anchored on N-doped carbon nanotube (Ni2_N3_CNT Ni2_N4_CNT) Ni single-atom (Ni1_N3_CNT Ni1_N4_CNT) catalysts with two possible active sites, namely, Ni-site N-site, as toward We have analyzed energetically favorable site surface Ni1_N3_CNT, Ni1_N4_CNT, Ni2_N3_CNT, Ni2_N4_CNT employing density functional theory method van der Waals (vdW) dispersion corrections (in short DFT-D3) method. Among all configurations, Ni2_N3_CNT more configuration catalytic Then, studied structural, electronic, activity using same DFT-D3 The analysis ORR intermediate species reveals that associative pathway path reducing into H2O at than dissociative pathway. In free energy profile, steps are downhill, indicating good Moreover, also structural electronic properties These findings point out provide electrocatalytic ORR, it holds great promise replacement Pt-based future proton-exchange membrane This work highlights potential importance subject material durable electrocatalyst offering insights electrochemistry design advanced catalysts, which may be promising candidate to substitute Pt electrodes, excellent fuel-cell components.

Language: Английский

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Employing Co/Nd Metal-Organic Framework Derivatives on Nitrogen-Doped Carbon as Dual-Function Catalysts for High-Efficiency Rechargeable Zinc-Air Batteries.

Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 179737 - 179737

Published: March 1, 2025

Language: Английский

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Curcumin-copper complex nanoparticles as antioxidant nanozymes for acute kidney injury alleviation

Materials Today Bio, Journal Year: 2025, Volume and Issue: unknown, P. 101794 - 101794

Published: April 1, 2025

Language: Английский

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High Refractive Index Carbonized Polymer Dots Acting as Light Scattering Units in Nanocomposites for Full‐Screen Light Guide Plate

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(16)

Published: Jan. 2, 2024

Abstract The full‐screen mobile phone can be fabricated by integrating the camera beneath screen, which needs nanocomposite light guide plate (nano‐LGP) with exceptional transparency and light‐guiding properties simultaneously. Choosing an appropriate nanoparticle a high refractive index compatibility within polymer matrix is crucial for producing nano‐LGP. In this study, carbonized dots (HRI‐CPDs) are synthesized through solvothermal treatment, achieving value of 1.7220 at 450 nm. Subsequently, modified HRI‐CPDs (mHRI‐CPDs)/polymethyl methacrylate (PMMA) nanocomposites copolymerizing mHRI‐CPDs methyl . Due to visible transmittance Rayleigh scattering characteristics when passes nanocomposites, kind suitable serving as nano‐LGPs. potential light‐scattering unit originally explored improve surface illuminance uniformity best‐performing 4.3‐inch LGP 1.0 wt.% doping content shows 15.8 times higher 2.1 than pure PMMA. This new type based on mHRI‐CPDs/PMMA holds tremendous promise in conjunction advanced liquid crystal display technology.

Language: Английский

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Structural and microwave absorption properties of CoFe2O4/residual carbon composites

International Journal of Minerals Metallurgy and Materials, Journal Year: 2024, Volume and Issue: 32(1), P. 221 - 232

Published: Nov. 25, 2024

Language: Английский

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