title: Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism.
abstract: Using first principles calculations for O vacancy diffusion on CeO(2)(111), we locate a surface diffusion mechanism, the two-step O vacancy exchange one, which is more favored than the most common hopping mechanism. By analyzing the results, we identify quantitatively the physical origin of why the two-step exchange mechanism is preferred.
authors.affiliation: Key Laboratory for Advanced Materials, Research Institute of Industrial Catalysis, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, PR China.
authors.forename: Hui-Ying
authors.initials: HY
authors.lastname: Li
authors.forename: Hai-Feng
authors.initials: HF
authors.lastname: Wang
authors.forename: Yang-Long
authors.initials: YL
authors.lastname: Guo
authors.forename: Guan-Zhong
authors.initials: GZ
authors.lastname: Lu
authors.forename: P
authors.initials: P
authors.lastname: Hu