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Quantum-Chemical DFT Study of Direct and H- and C-Assisted CO Dissociation on the χ-Fe(5)C(2) Hägg Carbide

[Image: see text] The first step in the Fischer–Tropsch reaction is the production of C(1) monomers by the dissociation of the C–O bond. Although Fe is the active metal, it is well known that under typical reaction conditions, it changes into various carbide phases. The Hägg carbide (χ-Fe(5)C(2)) ph...

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Detalhes bibliográficos
Publicado no:J Phys Chem C Nanomater Interfaces
Main Authors: Broos, Robin J. P., Zijlstra, Bart, Filot, Ivo A. W., Hensen, Emiel J. M.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5949720/
https://ncbi.nlm.nih.gov/pubmed/29774085
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.8b01064
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