Stability and effects of carbon-induced surface reconstructions in cobalt Fischer–Tropsch synthesis

I. Ciobica, P. van Helden, R.A. van Santen

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

10 Citaten (Scopus)

Samenvatting

This computational study of carbon induced reconstruction of Co surfaces demonstrates that surface reconstruction is stable in the presence of a hydrogen at low coverage. These reconstructions can create new sites that allow for low activation energy CO dissociation. Carbon induced surface reconstruction of the edge of the fcc-Co(221) step surface will result in highly reactive step-edge sites. Such sites also provide a low activation energy for carbon to diffuse into the subsurface layer of cobalt.
Originele taal-2Engels
Pagina's (van-tot)82-87
Aantal pagina's6
TijdschriftSurface Science
Volume653
DOI's
StatusGepubliceerd - 2016

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