title: Activation of carbon dioxide over zinc oxide by localised electrons.
abstract: The unique mechanism of activation of carbon dioxide over zinc oxide is unravelled using advanced quantum mechanical methods. The key process is the CO(2)  chemisorption catalysed by a highly localized electron carrier trapped at a vacant oxygen interstitial surface site. At the top of the reaction barrier CO(2)  pulls the electron from the vacancy and thus becomes active.
authors.affiliation: Department of Chemistry, Kathleen Lonsdale Materials Chemistry, University College London, United Kingdom.
authors.forename: Gargi
authors.initials: G
authors.lastname: Dutta
authors.forename: Alexey A
authors.initials: AA
authors.lastname: Sokol
authors.forename: C Richard A
authors.initials: CR
authors.lastname: Catlow
authors.forename: Thomas W
authors.initials: TW
authors.lastname: Keal
authors.forename: Paul
authors.initials: P
authors.lastname: Sherwood