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

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

doi:10.1016/j.susc.2016.06.003

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

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

Inorganic Materials & Catalysis

Research output: Contribution to journal › Article › Academic › peer-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 language	English
Pages (from-to)	82-87
Number of pages	6
Journal	Surface Science
Volume	653
DOIs	https://doi.org/10.1016/j.susc.2016.06.003
Publication status	Published - 2016

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@article{573a530a5d1a4a50b1164fb655037e98,

title = "Stability and effects of carbon-induced surface reconstructions in cobalt Fischer–Tropsch synthesis",

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.",

author = "I. Ciobica and {van Helden}, P. and {van Santen}, R.A.",

year = "2016",

doi = "10.1016/j.susc.2016.06.003",

language = "English",

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pages = "82--87",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier",

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TY - JOUR

T1 - Stability and effects of carbon-induced surface reconstructions in cobalt Fischer–Tropsch synthesis

AU - Ciobica, I.

AU - van Helden, P.

AU - van Santen, R.A.

PY - 2016

Y1 - 2016

N2 - 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.

AB - 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.

U2 - 10.1016/j.susc.2016.06.003

DO - 10.1016/j.susc.2016.06.003

M3 - Article

VL - 653

SP - 82

EP - 87

JO - Surface Science

JF - Surface Science

SN - 0039-6028

ER -