Active sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts

Kattel, Shyam; Ramírez, Pedro J.; Chen, Jingguang G.; Rodriguez, José A.; Liu, Ping

doi:10.1126/science.aal3573

Title: Active sites for CO ₂ hydrogenation to methanol on Cu/ZnO catalysts

Journal Article · Thu Mar 23 00:00:00 EDT 2017 · Science

DOI:https://doi.org/10.1126/science.aal3573· OSTI ID:1434385

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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.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: 276047; SC00112704; AC02-05CH11231

OSTI ID:: 1434385

Alternate ID(s):: OSTI ID: 1377055

Report Number(s):: BNL-114202-2017-JA; /sci/355/6331/1296.atom

Journal Information:: Science, Journal Name: Science Vol. 355 Journal Issue: 6331; ISSN 0036-8075

Publisher:: American Association for the Advancement of Science (AAAS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 894 works

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