Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling

Detalhes bibliográficos
Autor(a) principal: Kuznetsov, Alexei Y.
Data de Publicação: 2009
Outros Autores: Machado, Rogério, Gomes, Lincoln S., Achete, Carlos Alberto, Swamy, Varghese, Muddle, Barry C., Prakapenka, Vitali
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional do INMETRO
Texto Completo: http://hdl.handle.net/10926/1996
Resumo: Simultaneous crystal structure, microstructure, and morphology modeling with convolution-based profile fitting of angle-dispersive synchrotron x-ray diffraction data was applied to retrieve the size-dependent lattice changes in nanocrystalline rutile TiO2. The dominant prismatic crystallite morphology was adequately modeled using the parallelepiped geometry. As with anatase TiO2, opposing trends of decreasing c and increasing a parameter, as well as lattice expansion with decreasing average crystallite size were observed. A correlation between Ti vacancy abundance and lattice volume increase suggests a possible causative link.
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spelling info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleSize dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling20092014-11-12T10:32:17Z2014-11-12T10:32:17ZSimultaneous crystal structure, microstructure, and morphology modeling with convolution-based profile fitting of angle-dispersive synchrotron x-ray diffraction data was applied to retrieve the size-dependent lattice changes in nanocrystalline rutile TiO2. The dominant prismatic crystallite morphology was adequately modeled using the parallelepiped geometry. As with anatase TiO2, opposing trends of decreasing c and increasing a parameter, as well as lattice expansion with decreasing average crystallite size were observed. A correlation between Ti vacancy abundance and lattice volume increase suggests a possible causative link.3 p. : il.Submitted by Bruna Fernandes de Farias (bruna.fernandes_farias@yahoo.com.br) on 2011-10-11T12:49:51Z No. of bitstreams: 1 Achete2_2009.pdf: 311994 bytes, checksum: 002d010e78863f5a1f0aad87a3682955 (MD5)Approved for entry into archive by Beatriz Guia(bpguia@inmetro.gov.br) on 2014-11-11T19:22:03Z (GMT) No. of bitstreams: 1 Achete2_2009.pdf: 311994 bytes, checksum: 002d010e78863f5a1f0aad87a3682955 (MD5)Made available in DSpace on 2014-11-12T10:32:17Z (GMT). No. of bitstreams: 1 Achete2_2009.pdf: 311994 bytes, checksum: 002d010e78863f5a1f0aad87a3682955 (MD5) Previous issue date: 2009http://hdl.handle.net/10926/1996DMD_hdl_10926/1996KUZNETSOV, Alexei Y. et al. Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling. Applied Physics Letters, v. 94, n. 19, p. 193117-1 - 193117-3, 2009.Kuznetsov, Alexei Y.Machado, RogérioGomes, Lincoln S.Achete, Carlos AlbertoSwamy, VargheseMuddle, Barry C.Prakapenka, Vitaliinfo:eu-repo/semantics/openAccessengreponame:Repositório Institucional do INMETROinstname:Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO)instacron:INMETROAchete2_2009.pdfhttp://xrepo01s.inmetro.gov.br/bitstream/10926/1996/1/Achete2_2009.pdfapplication/pdf311994http://xrepo01s.inmetro.gov.br/bitstream/10926/1996/1/Achete2_2009.pdf002d010e78863f5a1f0aad87a3682955MD510926_1996_12024-06-10T15:24:40Zoai:xrepo01s.inmetro.gov.br:10926/1996Repositório de Publicaçõeshttp://repositorios.inmetro.gov.br/oai/requestopendoar:2014-11-12T10:55:45Repositório Institucional do INMETRO - Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO)false
dc.title.none.fl_str_mv Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
title Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
spellingShingle Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
Kuznetsov, Alexei Y.
title_short Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
title_full Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
title_fullStr Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
title_full_unstemmed Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
title_sort Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling
author Kuznetsov, Alexei Y.
author_facet Kuznetsov, Alexei Y.
Machado, Rogério
Gomes, Lincoln S.
Achete, Carlos Alberto
Swamy, Varghese
Muddle, Barry C.
Prakapenka, Vitali
author_role author
author2 Machado, Rogério
Gomes, Lincoln S.
Achete, Carlos Alberto
Swamy, Varghese
Muddle, Barry C.
Prakapenka, Vitali
author2_role author
author
author
author
author
author
dc.contributor.author.fl_str_mv Kuznetsov, Alexei Y.
Machado, Rogério
Gomes, Lincoln S.
Achete, Carlos Alberto
Swamy, Varghese
Muddle, Barry C.
Prakapenka, Vitali
description Simultaneous crystal structure, microstructure, and morphology modeling with convolution-based profile fitting of angle-dispersive synchrotron x-ray diffraction data was applied to retrieve the size-dependent lattice changes in nanocrystalline rutile TiO2. The dominant prismatic crystallite morphology was adequately modeled using the parallelepiped geometry. As with anatase TiO2, opposing trends of decreasing c and increasing a parameter, as well as lattice expansion with decreasing average crystallite size were observed. A correlation between Ti vacancy abundance and lattice volume increase suggests a possible causative link.
publishDate 2009
dc.date.issued.fl_str_mv 2009
dc.date.available.fl_str_mv 2014-11-12T10:32:17Z
dc.date.accessioned.fl_str_mv 2014-11-12T10:32:17Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10926/1996
DMD_hdl_10926/1996
dc.identifier.citation.fl_str_mv KUZNETSOV, Alexei Y. et al. Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling. Applied Physics Letters, v. 94, n. 19, p. 193117-1 - 193117-3, 2009.
url http://hdl.handle.net/10926/1996
identifier_str_mv DMD_hdl_10926/1996
KUZNETSOV, Alexei Y. et al. Size dependence of rutile TiO2 lattice parameters determined via simultaneous size, strain, and shape modeling. Applied Physics Letters, v. 94, n. 19, p. 193117-1 - 193117-3, 2009.
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.bitstream.fl_str_mv application/pdf
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instname:Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO)
instacron:INMETRO
instname_str Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO)
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institution INMETRO
reponame_str Repositório Institucional do INMETRO
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repository.name.fl_str_mv Repositório Institucional do INMETRO - Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO)
repository.mail.fl_str_mv
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