Fischer-Tropsch synthesis over supported Pt-Mo catalyst

Toward bimetallic catalyst optimization

Sergey Rashkeev, Michael V. Glazoff

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The product distribution of the Fischer-Tropsch (FT) process demonstrates a strong dependence upon the choice of catalyst, catalytic support, and reaction temperature. To develop understanding of the factors that underpin catalytic activity, we performed density-functional-theory (DFT)-based first-principles calculations for syngas reaction over bimetallic (Pt-Mo) catalysts including bimetallic surfaces and alloyed nanoparticles (NPs) positioned on a top of γ-Al2O3 substrate. It was found that catalytic activity of the (Pt-Mo) nanoparticles depends upon (i) the selectivity and reactivity of different atomic sites at the surface that may significantly affect the kinetics of different stages of the FT synthesis and (ii) the optimal composition of the NP allowing increasing the methane production at the first stage of the FT synthesis. This work highlights the main mechanisms that govern bimetallic catalyst activity for the FT synthesis. Similar considerations could be developed for any bimetallic catalytic system and any catalytic reactions. The results presented here should help to provide a solid basis for the rational design and/or improvement of many bimetallic catalysts.

Original languageEnglish
Pages (from-to)4450-4458
Number of pages9
JournalJournal of Physical Chemistry C
Volume117
Issue number9
DOIs
Publication statusPublished - 7 Mar 2013
Externally publishedYes

Fingerprint

Fischer-Tropsch synthesis
Catalyst activity
Nanoparticles
catalysts
Catalysts
optimization
synthesis
nanoparticles
catalytic activity
Fischer-Tropsch process
Methane
Catalyst supports
Density functional theory
synthesis gas
Kinetics
methane
reactivity
selectivity
Substrates
density functional theory

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Fischer-Tropsch synthesis over supported Pt-Mo catalyst : Toward bimetallic catalyst optimization. / Rashkeev, Sergey; Glazoff, Michael V.

In: Journal of Physical Chemistry C, Vol. 117, No. 9, 07.03.2013, p. 4450-4458.

Research output: Contribution to journalArticle

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