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

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

Research output: Contribution to journalArticleAcademicpeer-review

10 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)82-87
Number of pages6
JournalSurface Science
Volume653
DOIs
Publication statusPublished - 2016

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