Infrared And Raman Diagnostic Modeling Of Phosphate Adsorption On Ceria Nanoparticles
October 2023
in “
The Journal of Physical Chemistry C
”
TLDR Phosphates strongly attach to cerium dioxide nanoparticles, showing specific spectral patterns.
The study investigates the adsorption of phosphate species on cerium dioxide (CeO2) nanoparticles using infrared (IR) and Raman spectroscopy, alongside density-functional theory (DFT) and lattice-dynamics modeling. It finds that phosphate adsorption can convert active CeO2 to inactive CePO4, potentially reducing the nanoparticles' effectiveness. The research shows that 4-fold coordinated phosphate species are more stable than 5-fold ones, with tridentate configurations exhibiting the strongest adsorption energies. The IR spectra provide strong diagnostic signals, while Raman spectra show weaker signals, making it challenging to distinguish different phosphate species. This research underscores the importance of understanding surface interactions to predict and control the therapeutic activity of CeO2 nanoparticles.
