Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption

Eren, B.; Zherebetskyy, D.; Patera, L. L.; Wu, C. H.; Bluhm, H.; Africh, C.; Wang, L. -W.; Somorjai, G. A.; Salmeron, M.

doi:10.1126/science.aad8868

Title: Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption

Journal Article · Fri Jan 29 00:00:00 EST 2016 · Science

DOI:https://doi.org/10.1126/science.aad8868· OSTI ID:1434969

Eren, B.; Zherebetskyy, D.; Patera, L. L.; Wu, C. H.; Bluhm, H.; Africh, C.; Wang, L. -W.; Somorjai, G. A.; Salmeron, M.

The (111) surface of copper (Cu), its most compact and lowest energy surface, became unstable when exposed to carbon monoxide (CO) gas. Scanning tunneling microscopy reflected that at room temperature in the pressure range 0.1 to 100 Torr, the surface decomposed into clusters decorated by CO molecules attached to edge atoms. Between 0.2 and a few Torr CO, the clusters became mobile in the scale of minutes. Density functional theory demonstrated that the energy gain from CO binding to low-coordinated Cu atoms and the weakening of binding of Cu to neighboring atoms help drive this process. Specifically for softer metals, the optimal balance of these two effects occurs near reaction conditions. Cluster formation activated the surface for water dissociation, an important step in the water-gas shift reaction.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

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

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1434969

Alternate ID(s):: OSTI ID: 1565513; OSTI ID: 1608256

Journal Information:: Science, Journal Name: Science Vol. 351 Journal Issue: 6272; ISSN 0036-8075

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 181 works

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