Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force micr...

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Autores: Stetsovych, Oleksandr, Todorovi, Milica, Shimizu, Tomoko K., Moreno Sierra, César|||0000-0003-2682-211X, Ryan, James William, Pérez León, Carmen, Sagisaka, Keisuke, Palomares, Emilio, Matolín, Vladimír, Fujita, Daisuke, Pérez, Rubén, Custance, Oscar
Formato: artículo
Fecha de publicación:2015
País:España
Recursos:Universidad de Cantabria (UC)
Repositorio:UCrea Repositorio Abierto de la Universidad de Cantabria
Idioma:inglés
OAI Identifier:oai:repositorio.unican.es:10902/34938
Acesso em linha:https://hdl.handle.net/10902/34938
Access Level:acceso abierto
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spelling Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopyStetsovych, OleksandrTodorovi, MilicaShimizu, Tomoko K.Moreno Sierra, César|||0000-0003-2682-211XRyan, James WilliamPérez León, CarmenSagisaka, KeisukePalomares, EmilioMatolín, VladimírFujita, DaisukePérez, RubénCustance, OscarAnatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the material’s band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials.Work supported by the NIMS (AA002 and AF006 projects), by the MEXT KAKENHI Grant Number 26104540, by the Charles University (GAUK 339311) and by the Spanish MINECO (projects PLE2009-0061, MAT2011- 023627 and CSD2010-00024). Computer time was provided by the Spanish Supercomputing Network (RES, Spain) at the MareNostrum III Supercomputer (BCS, Barcelona), and by the PRACE initiative (project RA0986) at the Curie Supercomputer (CEA, France). O.S and V.M. thank the Charles University-NIMS International Cooperative Graduate School Program. J.W.R. thanks NIMS for funding through the NIMS Internship Program and ICIQ for his ICIQ Fellowship.Nature Publishing GroupUniversidad de Cantabria20152015-06-01journal articlehttp://purl.org/coar/resource_type/c_6501NAhttp://purl.org/coar/version/c_be7fb7dd8ff6fe43info:eu-repo/semantics/articlehttps://hdl.handle.net/10902/34938Nature Communications, 2015, 6, 7265reponame:UCrea Repositorio Abierto de la Universidad de Cantabriainstname:Universidad de Cantabria (UC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2Attribution 4.0 Internationalhttp://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:repositorio.unican.es:10902/349382026-06-02T12:39:31Z
dc.title.none.fl_str_mv Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
title Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
spellingShingle Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
Stetsovych, Oleksandr
title_short Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
title_full Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
title_fullStr Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
title_full_unstemmed Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
title_sort Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
dc.creator.none.fl_str_mv Stetsovych, Oleksandr
Todorovi, Milica
Shimizu, Tomoko K.
Moreno Sierra, César|||0000-0003-2682-211X
Ryan, James William
Pérez León, Carmen
Sagisaka, Keisuke
Palomares, Emilio
Matolín, Vladimír
Fujita, Daisuke
Pérez, Rubén
Custance, Oscar
author Stetsovych, Oleksandr
author_facet Stetsovych, Oleksandr
Todorovi, Milica
Shimizu, Tomoko K.
Moreno Sierra, César|||0000-0003-2682-211X
Ryan, James William
Pérez León, Carmen
Sagisaka, Keisuke
Palomares, Emilio
Matolín, Vladimír
Fujita, Daisuke
Pérez, Rubén
Custance, Oscar
author_role author
author2 Todorovi, Milica
Shimizu, Tomoko K.
Moreno Sierra, César|||0000-0003-2682-211X
Ryan, James William
Pérez León, Carmen
Sagisaka, Keisuke
Palomares, Emilio
Matolín, Vladimír
Fujita, Daisuke
Pérez, Rubén
Custance, Oscar
author2_role author
author
author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidad de Cantabria
description Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the material’s band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials.
publishDate 2015
dc.date.none.fl_str_mv 2015
2015-06-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
NA
http://purl.org/coar/version/c_be7fb7dd8ff6fe43
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/10902/34938
url https://hdl.handle.net/10902/34938
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution 4.0 International
http://creativecommons.org/licenses/by/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution 4.0 International
http://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Nature Publishing Group
publisher.none.fl_str_mv Nature Publishing Group
dc.source.none.fl_str_mv Nature Communications, 2015, 6, 7265
reponame:UCrea Repositorio Abierto de la Universidad de Cantabria
instname:Universidad de Cantabria (UC)
instname_str Universidad de Cantabria (UC)
reponame_str UCrea Repositorio Abierto de la Universidad de Cantabria
collection UCrea Repositorio Abierto de la Universidad de Cantabria
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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