Cation Adsorption in TiO₂ Nanotubes: Implication for Water Decontamination.

ABSTRACT: TiO₂ nanotubes constitute very promising nanomaterials for water decontamination by the removal of cations. We combined a range of experimental techniques from structural analyses to measurements of the properties of aqueous suspensions of nanotubes, with (i) continuous solvent modeling and (ii) quantum DFT-based simulations to assess the adsorption of Cs⁺ on TiO₂ nanotubes and to predict the separation of metal ions. The methodology is set to be operable under realistic conditions, which, in this case, include the presence of CO₂ that needs to be treated as a substantial contaminant, both in experiments and in models. The mesoscopic model, based on the Poisson-Boltzmann equation and surface adsorption equilibrium, predicts that H⁺ ion

SUBMITTER: Selmani A 

PROVIDER: S-EPMC10391741 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature