Open Access
Science, volume 336, issue 6083, pages 893-897
The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts
Malte Behrens
1
,
Felix Studt
2
,
Igor Kasatkin
1
,
Stefanie Kühl
1
,
Michael Hävecker
3
,
Frank Abild-Pedersen
2
,
Stefan Zander
1
,
Frank Girgsdies
1
,
Patrick Kurr
4
,
Benjamin Louis Kniep
4
,
Michael Tovar
5
,
Richard W. Fischer
4
,
Jens K. Nørskov
2, 6
,
Robert Schlögl
1
4
Süd-Chemie AG, Research and Development Catalysts, Waldheimer Straße 13, 83052 Bruckmühl, Germany.
|
Publication type: Journal Article
Publication date: 2012-05-18
Multidisciplinary
Abstract
Mechanisms in Methanol Catalysis The industrial production of methanol from hydrogen and carbon monoxide depends on the use of copper and zinc oxide nanoparticles on alumina oxide supports. This catalyst is “structure sensitive”; its activity can vary by orders of magnitude, depending on how it is prepared. Behrens et al. (p. 893, published online 19 April; see the Perspective by Greeley) used a combination of bulk and surface-sensitive analysis and imaging methods—along with insights from density functional theory calculations—to study several catalysts, including the one similar to that used industrially. High activity depended on the presence of steps on the copper nanoparticles stabilized by defects such as stacking faults. Partial coverage of the copper nanoparticles with zinc oxide was critical for stabilizing surface intermediates such as HCO and lowering energetic barriers to the methanol product. Catalysis is favored by stepped copper nanoparticles decorated with zinc oxide, which promotes stronger intermediate binding. One of the main stumbling blocks in developing rational design strategies for heterogeneous catalysis is that the complexity of the catalysts impairs efforts to characterize their active sites. We show how to identify the crucial atomic structure motif for the industrial Cu/ZnO/Al2O3 methanol synthesis catalyst by using a combination of experimental evidence from bulk, surface-sensitive, and imaging methods collected on real high-performance catalytic systems in combination with density functional theory calculations. The active site consists of Cu steps decorated with Zn atoms, all stabilized by a series of well-defined bulk defects and surface species that need to be present jointly for the system to work.
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Behrens M. et al. The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts // Science. 2012. Vol. 336. No. 6083. pp. 893-897.
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Behrens M., Studt F., Kasatkin I., Kühl S., Hävecker M., Abild-Pedersen F., Zander S., Girgsdies F., Kurr P., Kniep B. L., Tovar M., Fischer R. W., Nørskov J. K., Schlögl R. The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts // Science. 2012. Vol. 336. No. 6083. pp. 893-897.
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TY - JOUR
DO - 10.1126/science.1219831
UR - https://doi.org/10.1126/science.1219831
TI - The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts
T2 - Science
AU - Behrens, Malte
AU - Studt, Felix
AU - Kasatkin, Igor
AU - Kühl, Stefanie
AU - Hävecker, Michael
AU - Abild-Pedersen, Frank
AU - Zander, Stefan
AU - Girgsdies, Frank
AU - Kurr, Patrick
AU - Kniep, Benjamin Louis
AU - Tovar, Michael
AU - Fischer, Richard W.
AU - Nørskov, Jens K.
AU - Schlögl, Robert
PY - 2012
DA - 2012/05/18
PB - American Association for the Advancement of Science (AAAS)
SP - 893-897
IS - 6083
VL - 336
SN - 0036-8075
SN - 1095-9203
ER -
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BibTex
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@article{2012_Behrens,
author = {Malte Behrens and Felix Studt and Igor Kasatkin and Stefanie Kühl and Michael Hävecker and Frank Abild-Pedersen and Stefan Zander and Frank Girgsdies and Patrick Kurr and Benjamin Louis Kniep and Michael Tovar and Richard W. Fischer and Jens K. Nørskov and Robert Schlögl},
title = {The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts},
journal = {Science},
year = {2012},
volume = {336},
publisher = {American Association for the Advancement of Science (AAAS)},
month = {may},
url = {https://doi.org/10.1126/science.1219831},
number = {6083},
pages = {893--897},
doi = {10.1126/science.1219831}
}
Cite this
MLA
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Behrens, Malte, et al. “The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts.” Science, vol. 336, no. 6083, May. 2012, pp. 893-897. https://doi.org/10.1126/science.1219831.