Design of Optimally Stable Molecular Coatings for Fe-Based Nanoparticles in Aqueous Environments.

ABSTRACT: Magnetic nanoparticles are widely used in biomedical and oil-well applications in aqueous, often harsh environments. The pursuit for high-saturation magnetization together with high stability of the molecular coating that prevents agglomeration and oxidation remains an active research area. Here, we report a detailed analysis of the criteria for the stability of molecular coatings in aqueous environments along with extensive first-principles calculations for magnetite, which has been widely used, and cementite, a promising emerging candidate. A key result is that the simple binding energies of molecules cannot be used as a definitive indicator of relative stability in a liquid environment. Instead, we find that H⁺ ions and water molecules facilitate the desorption of molecules f

SUBMITTER: Zuluaga S 

PROVIDER: S-EPMC6641751 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature