Science Advances

Supplementary Materials

This PDF file includes:

  • Materials and Methods
  • Fig. S1. XRD and electron microscopy characterization of ceria nanoparticles.
  • Fig. S2. XRD patterns of ceria nanoparticles calcined at different temperatures.
  • Fig. S3. Scanning electron microscopy image of the bulk ceria sample.
  • Fig. S4. Longitudinal relaxation studies of ceria nanoparticles.
  • Fig. S5. Quantification of surface oxygen ions from NMR and BET data.
  • Fig. S6. Chemical shift calculations of ceria with different surface slabs.
  • Fig. S7. Solid-state NMR of ceria nanoparticles in contact with water at ultrahigh field.
  • Fig. S8. DFT calculations for ceria in contact with water.
  • Fig. S9. Nutation NMR of ceria nanoparticles.
  • Fig. S10. TRAPDOR NMR of ceria nanoparticles.
  • Fig. S11. Electron microscopy and solid-state NMR spectra of ceria nanorods.
  • Fig. S12. Vacancy formation energies of different oxygen ions.
  • Fig. S13. Solid-state NMR spectra of ceria nanoparticles with different surface areas labeled by adsorbing H2 17O.
  • Fig. S14. Ce 3d3/2,5/2 XPS spectra collected for ceria nanoparticles, nanorods, and bulk sample, as well as line fitting results.
  • Fig. S15. Molar percentage of Ce3+ as a function of particle size from XPS data.
  • Fig. S16. H2 TPR profiles of bulk ceria and ceria nanoparticles.
  • Fig. S17. Structure model and chemical shift calculations of ceria with oxygen vacancies.
  • Fig. S18. The criterion for NMR calculations and the determination of chemical shift.
  • Table S1. Mean diameter of ceria nanoparticles.
  • Table S2. BET surface area of ceria samples.
  • Table S3. Calculated NMR parameters of quadrupolar interaction for ceria.
  • Table S4. Calculated NMR parameters of quadrupolar interaction for ceria in contact with water.
  • Table S5. Calculated chemical shifts for ceria in contact with water.
  • Table S6. Calculated chemical shifts for ceria with oxygen vacancies in the bulk.
  • Table S7. Calculated chemical shifts for ceria with subsurface oxygen vacancies.
  • Table S8. Calculated chemical shifts for ceria with surface oxygen vacancies.
  • Table S9. Detailed NMR parameters for acquiring 17O MAS NMR data in Fig. 1.
  • Table S10. Detailed NMR parameters for acquiring 17O NMR data in Fig. 2.

Download PDF

Files in this Data Supplement: