A density functional theory study on the effect of zero-point energy corrections on the methanation profile on Fe(100)

A. Govender; D.C. Ferré; J.W. Niemantsverdriet

doi:10.1002/cphc.201100733

A density functional theory study on the effect of zero-point energy corrections on the methanation profile on Fe(100)

A. Govender, D.C. Ferré, J.W. Niemantsverdriet

Research output: Contribution to journal › Article › Academic › peer-review

57 Citations (Scopus)

Abstract

The thermodynamics and kinetics of the surface hydrogenation of adsorbed atomic carbon to methane, following the reaction sequence C+4H(-->////

Original language	English
Pages (from-to)	1591-1596
Number of pages	6
Journal	ChemPhysChem
Volume	13
Issue number	6
DOIs	https://doi.org/10.1002/cphc.201100733
Publication status	Published - 2012

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title = "A density functional theory study on the effect of zero-point energy corrections on the methanation profile on Fe(100)",

abstract = "The thermodynamics and kinetics of the surface hydrogenation of adsorbed atomic carbon to methane, following the reaction sequence C+4H(-->////",

author = "A. Govender and D.C. Ferr{\'e} and J.W. Niemantsverdriet",

year = "2012",

doi = "10.1002/cphc.201100733",

language = "English",

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PY - 2012

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AB - The thermodynamics and kinetics of the surface hydrogenation of adsorbed atomic carbon to methane, following the reaction sequence C+4H(-->////

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JF - ChemPhysChem

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A density functional theory study on the effect of zero-point energy corrections on the methanation profile on Fe(100)

Abstract

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