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Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons

5 November 2012

Gargi Dutta, Alexey A. Sokol*, C. Richard A. Catlow,
Thomas W. Keal, and Paul Sherwood

A.Sokol,R.Catlow,Chemphysicchem,2012,13,3453-3456,DOI:10.1002/cphc.201200517

Carbon dioxide can be transformed from an environmental hazard to a commodity, as shown on p. 3453 by A. A. Sokol et al. The unique mechanism of activation of carbon dioxide over zinc oxide is unravelled using advanced quantum mechanical methods. The key process is the CO2 chemisorption catalysed by a highly localized electron carrier trapped at a vacant oxygen interstitial surface site.

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