Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure

[Image: see text] Surface X-ray diffraction has been employed to elucidate the surface structure of α-Cr(2)O(3)(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to ∼2000 Langmuir of H(2)O, the surface is found to be terminated by a partially...

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Autores principales: Ahmed, M. H. M., Torrelles, X., Treacy, J.P.W., Hussain, H., Nicklin, C., Wincott, P. L., Vaughan, D. J., Thornton, G., Lindsay, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4729357/
https://www.ncbi.nlm.nih.gov/pubmed/26877825
http://dx.doi.org/10.1021/acs.jpcc.5b04607
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author Ahmed, M. H. M.
Torrelles, X.
Treacy, J.P.W.
Hussain, H.
Nicklin, C.
Wincott, P. L.
Vaughan, D. J.
Thornton, G.
Lindsay, R.
author_facet Ahmed, M. H. M.
Torrelles, X.
Treacy, J.P.W.
Hussain, H.
Nicklin, C.
Wincott, P. L.
Vaughan, D. J.
Thornton, G.
Lindsay, R.
author_sort Ahmed, M. H. M.
collection PubMed
description [Image: see text] Surface X-ray diffraction has been employed to elucidate the surface structure of α-Cr(2)O(3)(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to ∼2000 Langmuir of H(2)O, the surface is found to be terminated by a partially occupied double layer of chromium atoms. No evidence of adsorbed OH/H(2)O 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/H(2)O 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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spelling pubmed-47293572016-02-10 Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure Ahmed, M. H. M. Torrelles, X. Treacy, J.P.W. Hussain, H. Nicklin, C. Wincott, P. L. Vaughan, D. J. Thornton, G. Lindsay, R. J Phys Chem C Nanomater Interfaces [Image: see text] Surface X-ray diffraction has been employed to elucidate the surface structure of α-Cr(2)O(3)(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to ∼2000 Langmuir of H(2)O, the surface is found to be terminated by a partially occupied double layer of chromium atoms. No evidence of adsorbed OH/H(2)O 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/H(2)O 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. American Chemical Society 2015-08-24 2015-09-17 /pmc/articles/PMC4729357/ /pubmed/26877825 http://dx.doi.org/10.1021/acs.jpcc.5b04607 Text en Copyright © 2015 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
spellingShingle Ahmed, M. H. M.
Torrelles, X.
Treacy, J.P.W.
Hussain, H.
Nicklin, C.
Wincott, P. L.
Vaughan, D. J.
Thornton, G.
Lindsay, R.
Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure
title Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure
title_full Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure
title_fullStr Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure
title_full_unstemmed Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure
title_short Geometry of α-Cr(2)O(3)(0001) as a Function of H(2)O Partial Pressure
title_sort geometry of α-cr(2)o(3)(0001) as a function of h(2)o partial pressure
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4729357/
https://www.ncbi.nlm.nih.gov/pubmed/26877825
http://dx.doi.org/10.1021/acs.jpcc.5b04607
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