Greatly facilitated oxygen vacancy formation in ceria nanocrystallites.
The formation of oxygen vacancies in nanoparticles Ce(n)O(2n) (n < or = 80), studied using density-functional calculations, is found to be greatly facilitated compared to extended surfaces, which explains the observed spectacular reactivity of nanostructured ceria.
Migani
Annapaola
A
Departament de Química Física and Institut de Química Teòrica i Computacional, Universitat de Barcelona, 08028 Barcelona, Spain. amigani@ub.edu
Vayssilov
Georgi N
GN
Bromley
Stefan T
ST
Illas
Francesc
F
Neyman
Konstantin M
KM
D002563:Cerium / Q000737:chemistry*; D053758:Nanoparticles / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry*; D013816:Thermodynamics
D002563:Cerium; C030583:ceric oxide; D010100:Oxygen