Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO<sub>2</sub> (111) surfaces [electronic resource]

Inorganic And Physical Chemistry.

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Bibliographic Details
Online Access: Online Access (via OSTI)
Corporate Author: Los Alamos National Laboratory (Researcher)
Format: Government Document Electronic eBook
Language:English
Published: Washington, D.C. : Oak Ridge, Tenn. : United States. Department of Energy. ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2016.
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MARC

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245 0 0 |a Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO<sub>2</sub> (111) surfaces  |h [electronic resource] 
260 |a Washington, D.C. :  |b United States. Department of Energy. ;  |a Oak Ridge, Tenn. :  |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,  |c 2016. 
300 |a p. 15625-15631 :  |b digital, PDF file. 
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500 |a Published through SciTech Connect. 
500 |a 05/12/2016. 
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500 |a Physical Chemistry Chemical Physics. PCCP (Print) 18 23 ISSN 1463-9076; PPCPFQ AM. 
500 |a Shail Sanghavi; Weina Wang; Manjula I. Nandasiri; Ajay S. Karakoti; Wenliang Wang; Ping Yang; S. Thevuthasan. 
520 3 |a We studied the interactions between the carboxylate anchoring group from trimethylacetic acid (TMAA) and CeO<sub>2</sub>(111) surfaces as a function of oxygen stoichiometry using in situ X-ray photoelectron spectroscopy (XPS). The stoichiometric CeO<sub>2</sub>(111) surface was obtained by annealing the thin film under 2.0 × 10<sup>–5</sup> Torr of oxygen at ̃550 °C for 30 min. In order to reduce the CeO<sub>2</sub>(111) surface, the thin film was annealed under ̃5.0 × 10<sup>–10</sup> Torr vacuum conditions at 550 °C, 650 °C, 750 °C and 850 °C for 30 min to progressively increase the oxygen defect concentration on the surface. The saturated TMAA coverage on the CeO<sub>2</sub>(111) surface determined from XPS elemental composition is found to increase with increasing oxygen defect concentration. This is attributed to the increase of under-coordinated cerium sites on the surface with the increase in the oxygen defect concentrations. Furthermore, XPS results were in agreement with periodic density functional theory (DFT) calculations and indicate a stronger binding between the carboxylate group from TMAA and the oxygen deficient CeO<sub>2–δ</sub>(111) surface through dissociative adsorption. 
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