Dopant-mediated oxygen vacancy tuning in ceria nanoparticles.
Ceria nanoparticles with 20 and 40 at.% RE (RE = Y, Sm, Gd, and Yb) dopants were synthesized through a microemulsion method. Independently of the dopant nature and concentration, nearly monodispersed nanoparticles of size 3-5 nm were observed in high resolution transmission electron microscopic analysis. The ceria lattice either expands or contracts depending on the dopant cation ionic radii, as indicated by x-ray diffraction studies. X-ray photoelectron and Raman spectroscopic studies were used to quantify the cerium oxidation state and oxygen vacancy concentration. The results show the tunability of the oxygen vacancy and Ce(3+) concentrations based on the dopant properties. First principles simulations using the free energy density functional theory method support the observed experimental trends. The reported results establish a relationship between the oxygen vacancies and oxidation states in doped ceria required for tailoring properties in catalytic and biomedical applications.
Babu
Suresh
S
Advanced Material Processing and Analysis Center (AMPAC), Mechanical, Materials, and Aerospace Engineering (MMAE), University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816, USA.
Thanneeru
Ranjith
R
Inerbaev
Talgat
T
Day
Richard
R
Masunov
Artëm E
AE
Schulte
Alfons
A
Seal
Sudipta
S
D000537:Aluminum Oxide / Q000737:chemistry*; D002563:Cerium / Q000737:chemistry*; D003198:Computer Simulation; D003460:Crystallization / Q000379:methods; D046911:Macromolecular Substances / Q000737:chemistry; D008422:Materials Testing; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods; D010100:Oxygen / Q000737:chemistry*; D010316:Particle Size; D013499:Surface Properties; D014025:Titanium / Q000737:chemistry*; D015040:Zirconium / Q000737:chemistry*
C475766:Ce-TZP-Al2O3; D046911:Macromolecular Substances; C009495:titanium dioxide; D002563:Cerium; D015040:Zirconium; D014025:Titanium; D000537:Aluminum Oxide; D010100:Oxygen