A perspective on modelling metallic magnetic nanoparticles in biomedicine: From monometals to nanoalloys and ligand-protected particles

Farkas, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. A perspective on modelling metallic magnetic nanoparticles in biomedicine: From monometals to nanoalloys and ligand-protected particles. Materials 14 (13) , 3611. 10.3390/ma14133611

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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.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Advanced Research Computing @ Cardiff (ARCCA) Chemistry
Additional Information:	CC BY 4.0
Publisher:	MDPI
ISSN:	1996-1944
Funders:	EPSRC
Date of First Compliant Deposit:	2 July 2021
Date of Acceptance:	21 June 2021
Last Modified:	02 Aug 2024 15:41
URI:	https://orca.cardiff.ac.uk/id/eprint/142342

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