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Active sites for CO <sub>2</sub> hydrogenation to methanol on Cu/ZnO catalysts [electronic resource].

Published
Washington, D.C. : United States. Dept. of Energy. Office of Basic Energy Sciences, 2017.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
pages 1,296-1,299 : digital, PDF file
Additional Creators
Brookhaven National Laboratory, United States. Department of Energy. Office of Basic Energy Sciences, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
The active sites over commercial copper/zinc oxide/aluminum oxide (Cu/ZnO/Al2O3) catalysts for carbon dioxide (CO2) hydrogenation to methanol, the Zn-Cu bimetallic sites or ZnO-Cu interfacial sites, have recently been the subject of intense debate. Here, we report a direct comparison between the activity of ZnCu and ZnO/Cu model catalysts for methanol synthesis. By combining x-ray photoemission spectroscopy, density functional theory, and kinetic Monte Carlo simulations, we can identify and characterize the reactivity of each catalyst. Both experimental and theoretical results agree that ZnCu undergoes surface oxidation under the reaction conditions so that surface Zn transforms into ZnO and allows ZnCu to reach the activity of ZnO/Cu with the same Zn coverage. These results highlight a synergy of Cu and ZnO at the interface that facilitates methanol synthesis via formate intermediates.
Report Numbers
E 1.99:bnl--114202-2017-ja
bnl--114202-2017-ja
Subject(s)
Note
Published through SciTech Connect.
03/23/2017.
"bnl--114202-2017-ja"
"KC0302010"
Science 355 6331 ISSN 0036-8075 AM
Shyam Kattel; Pedro J. Ramírez; Jingguang G. Chen; José A. Rodriguez; Ping Liu.
Funding Information
SC00112704
AC02-05CH11231
CO040
View MARC record | catkey: 24043314