Vitamin C Affinity to TiO₂ Nanotubes: A Computational Study by Hybrid Density Functional Theory Calculations.

ABSTRACT: Titanium dioxide nanotubes (TNT) have been extensively studied because of their unique properties, which make such systems ideal candidates for biomedical application, especially for the targeted release of drugs. However, knowledge about the properties of TiO₂ nanotubes with typical dimensions of the order of the nanometer is limited, especially concerning the adsorption of molecules that can be potentially loaded in actual devices. In this work, we investigate, by means of simulations based on hybrid density functional theory, the adsorption of Vitamin C molecules on different nanotubes through a comparative analysis of the properties of different structures. We consider two different anatase TiO₂ surfaces, the most stable (101) and the more reactive (001)A; we eval

SUBMITTER: Ugolotti A 

PROVIDER: S-EPMC10856687 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature