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Surface of Metallic Catalysts under a Pressure of Hydrocarbon Molecules: Metal or Carbide?
Author(s) -
Sautet Philippe,
Cinquini Fabrizio
Publication year - 2010
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201000056
Subject(s) - hydrocarbon , metal , catalysis , carbide , molecule , materials science , chemical engineering , inorganic chemistry , chemistry , organic chemistry , metallurgy , engineering
What have I done to the surface? The nature of the surface of a solid catalyst can be modified by the reactants; molecular decomposition can produce new phases in the near‐surface region, changing the catalytic properties in situ. First‐principle calculations show trends among transition metal catalysts for the formation of a surface carbide from a range of hydrocarbon molecules or CO. Pd, Ni, and Fe are most prone to carbon penetration in the subsurface.