Correction to: Simulated Temperature Programmed Desorption of Acetaldehyde on CeO 2 (111): Evidence for the Role of Oxyg
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CORRECTION
Correction to: Simulated Temperature Programmed Desorption of Acetaldehyde on CeO2(111): Evidence for the Role of Oxygen Vacancy and Hydrogen Transfer Chuanlin Zhao1 · Ye Xu1
© Springer Science+Business Media, LLC, part of Springer Nature 2019
Correction to: Topics in Catalysis (2017) 60:446–458 https://doi.org/10.1007/s11244-016-0703-y
The original version of this article unfortunately contained an error in Fig. 6. The authors would like to correct the error with this erratum. The error was due to the missing of a factor of 2 in the rate expression for the surface coverage of atomic H when it desorbs as H 2, and to incorrect settings for some of the initial coverages, in the microkinetic model. A corrected version is shown here as Fig. 6, with the same caption as before. As a result, the peak desorption temperatures (Tp) of the various species have changed slightly as follows: Table C1 Changes in peak desorption temperatures of various species Species
Original Tp (K)
Corrected Tp (K)
Acetaldehyde (AcH) C2H4 C2H2 H2
603
605, with shoulder at ~ 650
593 647 631
590 654 613, 671
The corrections bring the outcome of our microkinetic model into better agreement with prior experiments [20, 21], in the following aspects: • In the simulated TPD the desorption intensity of C 2H 2
is now increased and that of H 2 is reduced, better in line with the TPD results of Chen et al. [20]. • A more pronounced shoulder in the high-temperature desorption of AcH now develops at ~ 650 K, better in line with the TPD results [20]. Closer inspection of our model suggests that this shoulder is due to the decomposition of the precursor to C2H2 (CHCHO/Vo), which supplies an additional amount of atomic H that enables more Enl/Vo to desorb as AcH. • A certain coverage of Enl/Vo now co-exists with the C–O coupled dimer between ca. 100 and 400 K, in better agreement with the RAIRS results of Calaza et al. [21] in that a minority enolate state was identified by those authors when they annealed AcH on C eO2x(111) to 300 K.
The original article can be found online at https://doi.org/10.1007/ s11244-016-0703-y. * Ye Xu [email protected] 1
Department of Chemical Engineering, Louisiana State University, Baton Rouge, LA 70803, USA
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Fig. 6 Simulated a TPD spectra and b corresponding coverages of surface intermediates as a function of temperature for AcH adsorbed on CeO2−x(111). Initial conditions: total AcH coverage = 0.9 ML; coverages of all other adsorbates = 0 ML; oxygen vacancy coverage = 0.3 ML; temperature = 50 K. Ramp rate = 2 K/s
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