title: Greatly facilitated oxygen vacancy formation in ceria nanocrystallites.
abstract: 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.
authors.affiliation: Departament de Química Física and Institut de Química Teòrica i Computacional, Universitat de Barcelona, 08028 Barcelona, Spain. amigani@ub.edu
authors.forename: Annapaola
authors.initials: A
authors.lastname: Migani
authors.forename: Georgi N
authors.initials: GN
authors.lastname: Vayssilov
authors.forename: Stefan T
authors.initials: ST
authors.lastname: Bromley
authors.forename: Francesc
authors.initials: F
authors.lastname: Illas
authors.forename: Konstantin M
authors.initials: KM
authors.lastname: Neyman
mesh_terms: D002563:Cerium / Q000737:chemistry*; D053758:Nanoparticles / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D002563:Cerium; C030583:ceric oxide; D010100:Oxygen