Tuning the Magnetic Moment of Small Late 3d-Transition-Metal Oxide Clusters by Selectively Mixing the Transition-Metal Constituents.

ABSTRACT: Transition-metal oxide nanoparticles are relevant for many applications in different areas where their superparamagnetic behavior and low blocking temperature are required. However, they have low magnetic moments, which does not favor their being turned into active actuators. Here, we report a systematical study, within the framework of the density functional theory, of the possibility of promoting a high-spin state in small late-transition-metal oxide nanoparticles through alloying. We investigated all possible nanoalloys An-xBxOm (A, B = Fe, Co, Ni; n = 2, 3, 4; 0≤x≤n) with different oxidation rates, m, up to saturation. We found that the higher the concentration of Fe, the higher the absolute stability of the oxidized nanoalloy, while the higher the Ni content, the less prone to oxidati

SUBMITTER: Aguilera-Del-Toro RH 

PROVIDER: S-EPMC7559123 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature