Structure of Copper–Cobalt Surface Alloys in Equilibrium with Carbon Monoxide Gas

Eren, Baran; Torres, Daniel; Karslıoğlu, Osman; Liu, Zongyuan; Wu, Cheng Hao; Stacchiola, Dario; Bluhm, Hendrik; Somorjai, Gabor A.; Salmeron, Miquel

doi:10.1021/jacs.7b13621

Title: Structure of Copper–Cobalt Surface Alloys in Equilibrium with Carbon Monoxide Gas

Journal Article · Tue May 08 00:00:00 EDT 2018 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.7b13621· OSTI ID:1463854

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Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Weizmann Inst. of Science, Rehovot (Israel). Dept. of Chemical and Biological Physics
City Univ. (CUNY), NY (United States). Dept. of Science
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept. and Center for Functional Nanomaterials
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division and Advanced Light Source (ALS)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering

We studied the structure of the copper-cobalt (CuCo) surface alloy, formed by Co deposition on Cu(110), in dynamic equilibrium with CO. Using scanning tunneling microscopy (STM), we found that, in vacuum at room temperature and at low Co coverage, clusters of a few Co atoms substituting Cu atoms form at the surface. At CO pressures in the Torr range, we found that up to 2.5 CO molecules can bind on a single Co atom, in carbonyl-like configurations. Based on high-resolution STM images, together with density functional theory calculations, we determined the most stable CuCo cluster structures formed with bound CO. Such carbonyl-like formation manifests in shifts in the binding energy of the Co core-level peaks in X-ray photoelectron spectra, as well as shifts in the vibrational modes of adsorbed CO in infrared reflection absorption spectra. The multiple CO adsorption on a Co site weakens the Co-CO bond and thus reduces the C-O bond scission probability. Our results may explain the different product distribution, including higher selectivity toward alcohol formation, when bimetallic CuCo catalysts are used compared to pure Co.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS); Weizmann Inst. of Science, Rehovot (Israel). Abramson Family Center for Young Scientists; National Science Foundation (NSF); Professional Staff Congress; The City University of New York

Contributing Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC) and Advanced Light Source (ALS); Stony Brook Univ., NY (United States). Inst. for Advanced Computational Science

Grant/Contract Number:: SC0012704; AC02-05CH11231,1531492; AC02-05CH11231; 1531492

OSTI ID:: 1463854

Alternate ID(s):: OSTI ID: 1601646

Report Number(s):: BNL-207927-2018-JAAM

Journal Information:: Journal of the American Chemical Society, Vol. 140, Issue 21; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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Title: Structure of Copper–Cobalt Surface Alloys in Equilibrium with Carbon Monoxide Gas

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