Metal-nitrogen-carbon (MNC) catalysts, especially FeNC catalysts, are considered promising candidates to replace Pt-based catalysts, but FeNC catalysts still present certain challenges in controlled-synthesis and energy device applications. In this paper, through the modification strategy of poly-dopamine (PDA) to maintain 2D leaf morphology to obtain more active sites and further adjust the N content, N-doped porous carbon monatomic iron catalyst (Fe/NPCs) with rich-nitrogen content was prepared. XPS analysis showed that compared with C-ZIF-Fe, the contents of graphite nitrogen and pyridine nitrogen increased in Fe/NPCs. The hollow structure with defects and Fe-N configuration of Fe single atom show more active sites for the catalyst, and positively promote the diffusion of reactants, oxygen exchange and electron transport, thus changing the reaction kinetics and promoting the improvement of ORR activity. Fe/NPCs electrocatalyst exhibits good half-wave potential and onset potential at low loading (E = 0.93 V, E = 1.0 V). In addition, the methanol tolerance, stability and Tafel slope are better than those of commercial Pt/C. Excitingly, the zinc-air cell with Fe/NPCs as cathode material achieves a power density of 223 mW cm and exhibits a long-term stability higher than 200 h. This work shows that nitrogen-doped porous carbon materials as well as iron monoatoms play important roles in improving electrocatalytic performance.
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http://dx.doi.org/10.1016/j.jcis.2023.04.162 | DOI Listing |
Food Chem
January 2025
Department of Chemistry, College of Science, University of Sulaimani, Qliasan St., 46002 Sulaymaniyah, Kurdistan region, Iraq. Electronic address:
Chemically-synthesized Nanozymes that are widely used as alternatives to enzymes face challenges such as high precursor costs, complex preparation processes, and limited catalytic efficiency. To overcome these drawbacks, we introduce naturally derived nanozymes, nanomineralzymes, as a promising alternative, offering benefits like affordability, cost-effectiveness, and scalability. Chalcopyrite (CP, CuFeS) was sourced from a mineral deposit, and CP nanoparticles were produced by milling.
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January 2025
Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore.
Transition-metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS), have emerged as a generation of nonprecious catalysts for the hydrogen evolution reaction (HER), largely due to their theoretical hydrogen adsorption energy close to that of platinum. However, efforts to activate the basal planes of TMDs have primarily centered around strategies such as introducing numerous atomic vacancies, creating vacancy-heteroatom complexes, or applying significant strain, especially for acidic media. These approaches, while potentially effective, present substantial challenges in practical large-scale deployment.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Institute for Information Technologies Kragujevac, Department of Science, University of Kragujevac, Jovana Cvijića bb, 34000 Kragujevac, Serbia.
In this study, the antioxidant and prooxidant potency of protocatechuic aldehyde (PCA) was evaluated using density functional theory (DFT). The potency of direct scavenging of hydroperoxyl (HOO) and lipid peroxyl radicals (modeled by vinyl peroxyl, HC=CHOO) involved in lipid peroxidation was estimated. The repair of oxidative damage in biomolecules (lipids, proteins and nucleic acids) and the prooxidant ability of PCA phenoxyl radicals were considered.
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January 2025
School of Materials Science and Engineering, Peking University, Beijing, P.R. China.
Designing catalysts with well-defined, identical sites that achieve site-specific selectivity, and activity remains a significant challenge. In this work, we introduce a design principle of topological-single-atom catalysts (T-SACs) guided by density functional theory (DFT) and Ab initio molecular dynamics (AIMD) calculations, where metal single atoms are arranged in asymmetric configurations that electronic shield topologically misorients d orbitals, minimizing unwanted interactions between reactants and the support surface. Mn/CeO catalysts, synthesized via a charge-transfer-driven approach, demonstrate superior catalytic activity and selectivity for NO removal.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Nankai University, School of Materials Science and Engineering, CHINA.
The application of temperature-compensated photonic device is hampered by poor accuracy and overly simplistic functions of propagation in photonic integrated circuits (PICs) field. Herein, we report a new library of donor-acceptor metal-organic framework (D-A MOF) with thermally activated delayed fluorescence (TADF) and the fabricating of temperature-compensated photonic device by virtue of the unique temperature response character of TADF emitters. Highly tunable through-space charge transfer (TSCT) of TADF was realized within the D-A MOFs through a novel strategy that synergistically combines the internal heavy atom effect (HAE) with an external HAE, induced by the incorporation of heavy atoms into different components, achieving the regulable photophysical indicators including adjustable PL wavelength (534 to 592 nm) and surging quantum yield (5.
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