2019
DOI: 10.1021/acs.jpcc.9b07513
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Atomic-Scale Surface Structure and CO Tolerance of NiCu Single-Atom Alloys

Abstract: Ni is one of the most extensively utilized metals in industrial catalysis. For example, Ni is the catalyst of choice for the steam reforming of hydrocarbons. However, pure Ni also detrimentally catalyzes the formation of graphitic carbon, which in turn leads to coking and deactivation of the catalyst. It has been shown that alloying small amounts of a less reactive metal like Au into Ni can alleviate this issue by breaking up the larger Ni ensembles that promote coke formation. We are taking the opposite of th… Show more

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Cited by 38 publications
(52 citation statements)
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“…Because the CO adsorption geometry remains upright, the change in site preference produces well separated C-O stretch bands in RAIRS that may be used to identify the presence of monomers vs. dimers of the minority metal component. 9,12,57 Our results suggest that an analogous characterization of Ti ensembles in the Ti-Cu(111) alloy is less feasible using CO RAIRS. We thus emphasize that our CO RAIRS results do not provide direct information about Ti dimers or larger ensembles that may be present in the Ti-Cu(111) alloy and that other characterization methods (e.g., low temperature STM) or probe molecules are needed to identify such structures and quantify their concentrations.…”
Section: Discussionmentioning
confidence: 87%
See 1 more Smart Citation
“…Because the CO adsorption geometry remains upright, the change in site preference produces well separated C-O stretch bands in RAIRS that may be used to identify the presence of monomers vs. dimers of the minority metal component. 9,12,57 Our results suggest that an analogous characterization of Ti ensembles in the Ti-Cu(111) alloy is less feasible using CO RAIRS. We thus emphasize that our CO RAIRS results do not provide direct information about Ti dimers or larger ensembles that may be present in the Ti-Cu(111) alloy and that other characterization methods (e.g., low temperature STM) or probe molecules are needed to identify such structures and quantify their concentrations.…”
Section: Discussionmentioning
confidence: 87%
“…The preference for CO to adsorb in flat-lying geometries on contiguous Ti surface structures is distinct from the behavior of CO adsorbed on dilute alloys of Cu(111) with late transition metals (e.g., Ni, Rh, Pd, Pt), 9,12,57 and has consequences for characterizing Ti-Cu(111) surface alloys. For late transition metal dopants, CO adsorbs into an upright geometry irrespective of the metal ensemble size and exhibits a change in site preference from atop to bridge for isolated dopant atoms vs. larger ensembles.…”
Section: Discussionmentioning
confidence: 99%
“…We note that this high tendency for Ni surface aggregation on Ni/Cu(111) alloys in the presence of CO is in qualitative agreement HREELS studies, 64 but also with very recent reflection adsorption infrared spectroscopy studies. 17,68 Thus…”
Section: 2surface Aggregation Of Dopant Atoms In the Presence Of Comentioning
confidence: 99%
“…extended Ni(111). [30][31][32] Further evidence for the lower frequency of the IR feature on the SAA comes from our DFT calculations that put this frequency at 1991 cm -1 , which is reasonably accurate when taking into consideration inherent errors in DFT calculations.…”
Section: Resultsmentioning
confidence: 59%