Decomposition pathways of C2 oxygenates on Rh-modified tungsten carbide surfaces

Kelly, Thomas G.; Ren, Hui; Chen, Jingguang G.

doi:10.1016/j.susc.2015.03.008

Title: Decomposition pathways of C2 oxygenates on Rh-modified tungsten carbide surfaces

Journal Article · Fri Mar 27 00:00:00 EDT 2015 · Surface Science

DOI:https://doi.org/10.1016/j.susc.2015.03.008· OSTI ID:1224193

Kelly, Thomas G. ^[1]; Ren, Hui ^[1]; Chen, Jingguang G. ^[2]

Univ. of Delaware, Newark, DE (United States)
Columbia Univ., New York, NY (United States); Brookhaven National Lab., Upton, NY (United States)

Ethanol decomposition on tungsten monocarbide (WC) and Rh-modified WC was investigated using ultrahigh vacuum (UHV) surface science experiments and density functional theory (DFT) calculations. DFT calculations indicated that the binding energies of ethanol and its decomposition intermediates on WC(0001) were modified by Rh, with Rh/WC(0001) showing similar values to those on Rh(111). Through temperature-programmed desorption (TPD) experiments on polycrystalline WC and Rh-modified WC, it was shown that the selectivity for ethanol decomposition was different on these surfaces. On WC, the C-O bond of ethanol was preferentially broken to produce ethylene; on Rh-modified WC, the C-C bond was broken to produce carbon monoxide and methane. In addition, high-resolution electron energy loss spectroscopy (HREELS) was used to determine likely surface intermediates. On Rh-modified WC, ethanol first formed ethoxy through O-H scission, then reacted through an aldehyde intermediate to form the C1 products.

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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:: SC00112704; 13-038

OSTI ID:: 1224193

Alternate ID(s):: OSTI ID: 1244750

Report Number(s):: BNL-108465-2015-JA; R&D Project: CO009; KC0302010

Journal Information:: Surface Science, Vol. 640, Issue C; ISSN 0039-6028

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ethanol
acetaldehyde
tungsten carbide
Rh-modified tungsten carbide

Title: Decomposition pathways of C2 oxygenates on Rh-modified tungsten carbide surfaces

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