Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)

Silicon thin films for coverages ($\theta$) between 0.3 and 3 monolayers have been grown on rutile \ce{TiO2}(110)-(1x1) at room temperature and studied by x-ray and ultra-violet photoelectron spectroscopies, Auger electron spectroscopy, and low energy electron diffraction (LEED). A clear evidence of...

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Detalles Bibliográficos
Autores: Abad, José M., González, Carlos, Andrés, Pedro L. de, Román García, Elisa Leonor
Tipo de recurso: artículo
Fecha de publicación:2010
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/36598
Acceso en línea:http://hdl.handle.net/10261/36598
Access Level:acceso abierto
Palabra clave:rutile
titanium dioxide
(110)-1x1
silicon oxide
surface oxidation
X-ray photoelectron spectroscopy (XPS)
ultraviolet photoelectron spectroscopy (UPS)
Auger electrons spectroscopy (AES)
density functional theory (DFT)
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repository_id_str
spelling Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)Abad, José M.González, CarlosAndrés, Pedro L. deRomán García, Elisa Leonorrutiletitanium dioxide(110)-1x1silicon oxidesurface oxidationX-ray photoelectron spectroscopy (XPS)ultraviolet photoelectron spectroscopy (UPS)Auger electrons spectroscopy (AES)density functional theory (DFT)Silicon thin films for coverages ($\theta$) between 0.3 and 3 monolayers have been grown on rutile \ce{TiO2}(110)-(1x1) at room temperature and studied by x-ray and ultra-violet photoelectron spectroscopies, Auger electron spectroscopy, and low energy electron diffraction (LEED). A clear evidence of a strong \ce{Si}/\ce{TiO2} interaction consistent with the high affinity of O for Si has been found. The Ti cations on the substrate are reduced, while the Si film is oxidized, yielding \ce{SiO2} and a mixture of silicon suboxides. Neutral Si atoms are observed at a coverage of 3 monolayers. At the interface region we observe the formation of cross-linking Ti-O-Si bonds. The thin Si overlayer strongly attenuates the $(1 \times 1)$ LEED pattern from the substrate. Finally, thermal annealing results in the improvement of the \ce{SiO2} stoichiometry, but the surface order is not recovered. Using ab-initio density functional theory we have obtained optimum geometrical configurations and corresponding density of states for $\frac{1}{3} \le \theta \le 1$ monolayers of Si adsorbed on the $1 \times 1$ two-dimensional unit cell.Peer reviewedAmerican Physical Society201120112010info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501http://hdl.handle.net/10261/36598reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés10.1103/PhysRevB.82.165420info:eu-repo/semantics/openAccessoai:digital.csic.es:10261/365982026-05-22T06:33:51Z
dc.title.none.fl_str_mv Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
title Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
spellingShingle Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
Abad, José M.
rutile
titanium dioxide
(110)-1x1
silicon oxide
surface oxidation
X-ray photoelectron spectroscopy (XPS)
ultraviolet photoelectron spectroscopy (UPS)
Auger electrons spectroscopy (AES)
density functional theory (DFT)
title_short Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
title_full Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
title_fullStr Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
title_full_unstemmed Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
title_sort Characterization of silicon thin overlayers on rutile TiO2 (110)-(1x1)
dc.creator.none.fl_str_mv Abad, José M.
González, Carlos
Andrés, Pedro L. de
Román García, Elisa Leonor
author Abad, José M.
author_facet Abad, José M.
González, Carlos
Andrés, Pedro L. de
Román García, Elisa Leonor
author_role author
author2 González, Carlos
Andrés, Pedro L. de
Román García, Elisa Leonor
author2_role author
author
author
dc.subject.none.fl_str_mv rutile
titanium dioxide
(110)-1x1
silicon oxide
surface oxidation
X-ray photoelectron spectroscopy (XPS)
ultraviolet photoelectron spectroscopy (UPS)
Auger electrons spectroscopy (AES)
density functional theory (DFT)
topic rutile
titanium dioxide
(110)-1x1
silicon oxide
surface oxidation
X-ray photoelectron spectroscopy (XPS)
ultraviolet photoelectron spectroscopy (UPS)
Auger electrons spectroscopy (AES)
density functional theory (DFT)
description Silicon thin films for coverages ($\theta$) between 0.3 and 3 monolayers have been grown on rutile \ce{TiO2}(110)-(1x1) at room temperature and studied by x-ray and ultra-violet photoelectron spectroscopies, Auger electron spectroscopy, and low energy electron diffraction (LEED). A clear evidence of a strong \ce{Si}/\ce{TiO2} interaction consistent with the high affinity of O for Si has been found. The Ti cations on the substrate are reduced, while the Si film is oxidized, yielding \ce{SiO2} and a mixture of silicon suboxides. Neutral Si atoms are observed at a coverage of 3 monolayers. At the interface region we observe the formation of cross-linking Ti-O-Si bonds. The thin Si overlayer strongly attenuates the $(1 \times 1)$ LEED pattern from the substrate. Finally, thermal annealing results in the improvement of the \ce{SiO2} stoichiometry, but the surface order is not recovered. Using ab-initio density functional theory we have obtained optimum geometrical configurations and corresponding density of states for $\frac{1}{3} \le \theta \le 1$ monolayers of Si adsorbed on the $1 \times 1$ two-dimensional unit cell.
publishDate 2010
dc.date.none.fl_str_mv 2010
2011
2011
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/36598
url http://hdl.handle.net/10261/36598
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv 10.1103/PhysRevB.82.165420
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869403943916797952
score 15,811543

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