Water adsorption at zirconia: from the ZrO2(111)/Pt3Zr(0001) model system to powder samples

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Title
Water adsorption at zirconia: from the ZrO2(111)/Pt3Zr(0001) model system to powder samples
Author(s)
Peter Lackner; Jan Hulva; Eva-Maria Kock; Wernfried Mayr-Schmolzer; Joong Il J. Choi; Simon Penner; Ulrike Diebold; Florian Mittendorfer; Josef Redinger; Bernhard Klotzer; Gareth S. Parkinson; Michael Schmid
Publication Date
2018-09
Journal
JOURNAL OF MATERIALS CHEMISTRY A, v.6, no.36, pp.17587 - 17601
Publisher
ROYAL SOC CHEMISTRY
Abstract
We present a comprehensive study of water adsorption and desorption on an ultrathin trilayer zirconia film using temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), as well as scanning tunneling microscopy (STM) at different temperatures. The saturation coverage is one H2O per surface Zr atom, with about 12% dissociation. The monolayer TPD peak (180 K, desorption barrier 0.57 +/- 0.04 eV) has a tail towards higher temperatures, caused by recombinative desorption from defect sites with dissociated water. STM shows that the defects with the strongest H2O adsorption are found above subsurface dislocations. Additional defect sites are created by multiple water adsorption/desorption cycles; these water-induced changes were also probed by CO2 TPD. Nevertheless, the defect density is much smaller than in previous studies of H2O/ZrO2. To validate our model system, transmission Fourier-transform infrared absorption spectroscopy (FTIR) studies at near-ambient pressures were carried out on monoclinic zirconia powder, showing comparable adsorption energies as TPD on the ultrathin film. The results are also compared with density functional theory (DFT) calculations, which suggest that sites with strong H2O adsorption contain twofold-coordinated oxygen. © The Royal Society of Chemistry 2018
URI
https://pr.ibs.re.kr/handle/8788114/6188
ISSN
2050-7488
Appears in Collections:
Center for Nanomaterials and Chemical Reactions(나노물질 및 화학반응 연구단) > Journal Papers (저널논문)
Files in This Item:
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