A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles
Barbara Farkaš, Nora H. de Leeuw
Abstract
The focus of this review is on the physical and magnetic properties that are related to the efficiency of monometallic magnetic nanoparticles used in biomedical applications, such as magnetic resonance imaging (MRI) or magnetic nanoparticle hyperthermia, and how to model these by theoretical methods, where the discussion is based on the example of cobalt nanoparticles. Different simulation systems (cluster, extended slab, and nanoparticle models) are critically appraised for their efficacy in the determination of reactivity, magnetic behaviour, and ligand-induced modifications of relevant properties. Simulations of the effects of nanoscale alloying with other metallic phases are also briefly reviewed.
Topics & Concepts
NanoparticleMaterials scienceMagnetic nanoparticlesNanoscopic scaleNanotechnologyLigand (biochemistry)Magnetic hyperthermiaCobaltMagnetic resonance imagingBiomedicineChemistryMetallurgyBioinformaticsMedicineRadiologyBiochemistryBiologyReceptorNanoparticle-Based Drug DeliveryNanomaterials for catalytic reactionsGold and Silver Nanoparticles Synthesis and Applications