Effect of Organic Coating Variation on the Electric and Magnetic Behavior of Ferrite Nanoparticles.

ABSTRACT: Organic ligand coatings can modify the surface properties of nanoparticles. With the proper choice of the type of nanoparticles and of the ligand, a targeted modification can be achieved that is suitable for specific applications. In the present work, we employ density functional theory calculations with Hubbard corrections (DFT + U) to treat localized states in order to investigate the magnetic and electrostatic properties of ferrite nanoparticles (CoFe₂O₄ and Fe₂O₃) covered with COOH-terminated [oleic acid (OA)] and OH-terminated [diethylene glycol (DEG)] ligands by varying the ligands coverage. OA results in a decrease of the mean magnetic moment for both particles as the coating coverage increases. The magnetic anisotropy (MAE) signifi

SUBMITTER: Ntallis N 

PROVIDER: S-EPMC10683492 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature