Geometry of α‑Cr2O3(0001) as a Function of H2O Partial Pressure
In: The Journal of Physical Chemistry C, Jg. 119 (2015-09-17), Heft 37
Online
academicJournal
- 21426 - 21433
Surface X-ray diffraction has been employed to elucidate the surface structure of α-Cr2O3(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to ∼2000 Langmuir of H2O, the surface is found to be terminated by a partially occupied double layer of chromium atoms. No evidence of adsorbed OH/H2O is found, which is likely due to either adsorption at minority sites, or X-ray induced desorption. At a water partial pressure of ∼30 mbar, a single OH/H2O species is found to be bound atop each surface Cr atom. This adsorption geometry does not agree with that predicted by ab initio calculations, which may be a result of some differences between the experimental conditions and those modeled.
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Geometry of α‑Cr2O3(0001) as a Function of H2O Partial Pressure
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Autor/in / Beteiligte Person: | Ahmed, MHM ; Torrelles, X ; Treacy, JPW ; Hussain, H ; Nicklin, C ; Wincott, PL ; Vaughan, DJ ; Thornton, G ; Lindsay, R |
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Zeitschrift: | The Journal of Physical Chemistry C, Jg. 119 (2015-09-17), Heft 37 |
Veröffentlichung: | eScholarship, University of California, 2015 |
Medientyp: | academicJournal |
Umfang: | 21426 - 21433 |
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