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          Institute: MPI für bioanorganische Chemie     Collection: MPI für bioanorganische Chemie     Display Documents



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ID: 713342.0, MPI für bioanorganische Chemie / MPI für bioanorganische Chemie
The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts
Authors:Studt, Felix; Behrens, Malte; Kunkes, Edward L.; Thomas, Nygil; Zander, Stefan; Tarasov, Andrey; Schumann, Julia; Frei, Elias; Varley, Joel B.; Abild-Pedersen, Frank; Norskov, Jens K.; Schlögl, Robert
Language:English
Date of Publication (YYYY-MM-DD):2015
Title of Journal:ChemCatChem
Journal Abbrev.:Chem.Cat.Chem.
Volume:7
Issue / Number:7
Start Page:1105
End Page:1111
Review Status:Internal review
Audience:Experts Only
Abstract / Description:Methanol, an important chemical, fuel additive, and precursor for clean fuels, is produced by hydrogenation of carbon oxides over Cu-based catalysts. Despite the technological maturity of this process, the understanding of this apparently simple reaction is still incomplete with regard to the reaction mechanism and the active sites. Regarding the latter, recent progress has shown that stepped and ZnOx-decorated Cu surfaces are crucial for the performance of industrial catalysts. Herein, we integrate this insight with additional experiments into a full microkinetic description of methanol synthesis. In particular, we show how the presence or absence of the Zn promoter dramatically changes not only the activity, but unexpectedly the reaction mechanism itself. The Janus-faced character of Cu with two different sites for methanol synthesis, Zn-promoted and unpromoted, resolves the long-standing controversy regarding the Cu/Zn synergy and adds methanol synthesis to the few major industrial catalytic processes that are described on an atomic level.
Comment of the Author/Creator:Date: 2015, APR 2015
External Publication Status:published
Document Type:Article
Version Comment:Automatic journal name synchronization
Communicated by:N. N.
Affiliations:MPI für bioanorganische Chemie
External Affiliations:[Studt,F.; Norskov,J.] SLAC Natl.Accelerator Lab., SUNCAT Ctr.Interface Sci.& Catalysis, Menlo Pk, CA 94025 USA.
[Abild-Pedersen,F.] Stanford Univ, Dept Chem Engn,Stanford, CA 94305 USA.
[Behrens,M.; Kunkes,E.; Thomas,N.; Zander,S.; Tarasov,A.; Schumann,J.; Frei,E.; ] Max Planck Gesell., Fritz Haber Inst., Dept.Inorgan.Chem., D-14195 Berlin, Germany.
[Varley,J.B. ] Lawrence Livermore Natl.Lab., Livermore, CA 94550 USA.
Identifiers:ISI:000352488300010 [ID No:1]
ISSN:1867-3880 [ID No:2]
DOI:10.1002/cctc.201500123 [ID No:3]
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