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  Ferryl (Fe=O) termination of the hematite α-Fe2O3(0001) surface

Lemire, C., Bertarione, S., Zecchina, A., Scarano, D., Chaka, A., Shaikhutdinov, S., et al. (2005). Ferryl (Fe=O) termination of the hematite α-Fe2O3(0001) surface. Physical Review Letters, 94(16), 166101–1-166101–4. doi:10.1103/PhysRevLett.94.166101.

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e166101.pdf (Publisher version), 2MB
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2005
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 Creators:
Lemire, Céline1, Author           
Bertarione, Serena, Author
Zecchina, Adriano, Author
Scarano, Domenica, Author
Chaka, Anne, Author
Shaikhutdinov, Shamil1, Author           
Freund, Hans-Joachim1, Author           
Affiliations:
1Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              

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Free keywords: LEED; CO; adsorption; molecules; spectra; chromia; IR
 Abstract: Using scanning tunneling microscopy and infrared reflection absorption spectroscopy we have observed that the alpha-Fe2O3(0001) surface exhibits ferryl (Fe=O) groups, which may coexist with domains of the Fe-terminated surface. We therefore fully support ab initio calculations recently reported in the literature [W. Bergmeyer, H. Schweiger, and E. Wimmer, Phys. Rev. B 69, 195409 (2004)]. The close similarity to the results on the (0001) surfaces of Cr2O3 and V2O3 strongly suggests that the M=O termination under certain oxygen pressure conditions is the most stable for the close-packed surfaces of transition metal oxides with the corundum structure.

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 Dates: 2005-04-26
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 249331
DOI: 10.1103/PhysRevLett.94.166101
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Title: Physical Review Letters
  Other : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y., etc. : American Physical Society.
Pages: - Volume / Issue: 94 (16) Sequence Number: - Start / End Page: 166101–1 - 166101–4 Identifier: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406