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  The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts

Studt, F., Behrens, M., Kunkes, E. L., Thomas, N., Zander, S., Tarasov, A., et al. (2015). The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts. ChemCatChem, 7(7), 1105-1111. doi:10.1002/cctc.201500123.

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 Creators:
Studt, Felix1, 2, Author
Behrens, Malte3, 4, Author           
Kunkes, Edward L.3, Author           
Thomas, Nygil3, 5, Author           
Zander, Stefan3, Author           
Tarasov, Andrey3, Author           
Schumann, Julia3, Author           
Frei, Elias3, Author           
Varley, Joel B.2, 6, Author
Abild-Pedersen, Frank1, 2, Author
Nørskov, Jens K.1, 2, Author
Schlögl, Robert3, 7, Author           
Affiliations:
1SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (USA), ou_persistent22              
2Department of Chemical Engineering, Stanford University, Stanford, CA 94305 (USA), ou_persistent22              
3Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, ou_24023              
4Faculty of Chemistry and CENIDE, Universität Duisburg-Essen, Universitätsstrasse 5–7, 45141 Essen (Germany), ou_persistent22              
5Postgraduate and Research Department of Chemistry, Nirmalagiri College, Kerala, India, ou_persistent22              
6Lawrence Livermore National Laboratory, Livermore, CA 94550 (USA), ou_persistent22              
7Heterogeneous Reactions Department, Max-Planck-Institut for Chemical Energy Conversion, Stiftstrasse 34–36, 45470 Mühlheim an der Ruhr (Germany), ou_persistent22              

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Free keywords: copper; hydrogenation; kinetics; methanol; zinc
 Abstract: 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.

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Language(s): eng - English
 Dates: 2015-02-092015-03-09
 Publication Status: Published online
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/cctc.201500123
 Degree: -

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Title: ChemCatChem
  Other : ChemCatChem
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 7 (7) Sequence Number: - Start / End Page: 1105 - 1111 Identifier: ISSN: 1867-3880
CoNE: https://pure.mpg.de/cone/journals/resource/1867-3880