Theoretical studies on the structure, stability, and magnetic properties of icosahedral TM13 (TM = Fe, Co, Ni) clusters, deposited on pristine (defect free) and defective graphene sheet as well as graphene flakes, have been carried out within a gradient corrected density functional framework. The defects considered in our study include a carbon vacancy for the graphene sheet and a five-membered and a seven-membered ring structures for graphene flakes (finite graphene chunks). It is observed that the presence of defect in the substrate has a profound influence on the electronic structure and magnetic properties of graphene-transition metal complexes, thereby increasing the binding strength of the TM cluster on to the graphene substrate. Among TM13 clusters, Co13 is absorbed relatively more strongly on pristine and defective graphene as compared to Fe13 and Ni13 clusters. The adsorbed clusters show reduced magnetic moment compared to the free clusters.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.4893328 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Design of an injectable magnetic hydrogel with porous structure and electrocatalytic activity for the sensitive electrochemical detection of nitrite in foods.
Food Chem
January 2025
College of Food Science and Engineering, Shandong Agricultural University, Taian 271018, People's Republic of China. Electronic address:
Herein, we synthesized a novel injectable porous magnetic hydrogel (MHG) at room temperature using carboxymethyl chitosan (CMCS), polydopamine (PDA), sodium alginate (SA), polyethyleneimine (PEI) and copper ferrite (CuFeO) as building blocks. The CMCS and SA as monomers provided good film-forming and anti-fouling properties for MHG. The PDA-coated CuFeO as a cross-linking agent improved the homogeneity, adsorption and electrocatalytic performance of MHG, but also generated a macroporous hydrogel structure which was beneficial for sensing applications.
View Article and Find Full Text PDFPhenylboronic acid functionalized magnetic ferroferric oxide nanoparticles and capillary electrophoresis for efficient isolation of flavonoid compounds from leaves of Lonicera japonica Thunb.
J Chromatogr A
January 2025
Department of Chemical Engineering, Jashore University of Science and Technology, Jashore 7408, Bangladesh.
Flavonoids are bioactive components in natural products, which possess anti-inflammatory, antibacterial, antioxidant, and cardiovascular protective properties. However, due to the complexity and low content of the components in these samples, developing rapid and sensitive methods for the isolation and extraction of flavonoids still remains a challenge in medical and food science. Herein, a 4-formylphenylboronic acid functionalized magnetic FeO nanomaterial (FeO@FPBA) was synthesized and applied as a sorbent of magnetic solid-phase extraction (MSPE) to covalently extract flavonoids from leaves of Lonicera japonica Thunb.
View Article and Find Full Text PDFAzurin a potent anticancer and antimicrobial agent isolated from a novel Pseudomonas aeruginosa strain.
Sci Rep
January 2025
Department of Botany and Microbiology, Faculty of Science, Alexandria University, Alexandria, Egypt.
Azurin, a bacterial blue-copper protein, has garnered significant attention as a potential anticancer drug in recent years. Among twenty Pseudomonas aeruginosa isolates, we identified one isolate that demonstrated potent and remarkable azurin synthesis using the VITEK 2 system and 16S rRNA sequencing. The presence of the azurin gene was confirmed in the genomic DNA using specific oligonucleotide primers, and azurin expression was also detected in the synthesized cDNA, which revealed that the azurin expression is active.
View Article and Find Full Text PDFTailored topotactic chemistry unlocks heterostructures of magnetic intercalation compounds.
Nat Commun
January 2025
Department of Chemistry, University of California, Berkeley, CA, USA.
The construction of thin film heterostructures has been a widely successful archetype for fabricating materials with emergent physical properties. This strategy is of particular importance for the design of multilayer magnetic architectures in which direct interfacial spin-spin interactions between magnetic phases in dissimilar layers lead to emergent and controllable magnetic behavior. However, crystallographic incommensurability and atomic-scale interfacial disorder can severely limit the types of materials amenable to this strategy, as well as the performance of these systems.
View Article and Find Full Text PDFImpact of Gd, Pr, Yb, and Nd doping on the magnetic properties of Mg-ferrite nanoparticles.
J Mater Sci Mater Med
January 2025
Cyclotron Facility, Nuclear Research Center, Egyptian Atomic Energy Authority, Cairo, Egypt.
This study aimed to synthesize MgFeLnO (where, Ln = Yb, Pr, Gd, and Nd) ferrite nanoparticles via the sol-gel process and investigate their structural, morphological, and magnetic properties for potential hyperthermia applications. X-ray diffraction analysis (XRD) confirmed the cubic spinel structure for all samples. Transmission electron microscopy (TEM) images revealed nanometer-scale dimensions and nearly spherical morphology.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!