Experimental and Theoretical Study of SbPO4 under Compression

Detalhes bibliográficos
Autor(a) principal: Pereira, André Luis De Jesus
Data de Publicação: 2020
Outros Autores: Santamariá-Pérez, David, Vilaplana, Rosário, Errandonea, Daniel, Popescu, Catalin, Da Silva, Estelina Lora, Sans, Juan Angel, Rodríguez-Carvajal, Juan, Munõz, Alfonso, Rodríguez-Hernández, Plácida, Mujica, Andres, Radescu, Silvana Elena, Beltrán, Armando, Otero-De-La-Roza, Alberto, Nalin, Marcelo [UNESP], Mollar, Miguel, Manjón, Francisco Javier
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1021/acs.inorgchem.9b02268
http://hdl.handle.net/11449/199906
Resumo: SbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and linked by weak Sb-O electrostatic interactions. In fact, Sb has 4-fold coordination with O similarly to what occurs with the P-O coordination, despite the large difference in ionic radii and electronegativity between both elements. Here we report a joint experimental and theoretical study of the structural and vibrational properties of SbPO4 at high pressure. We show that SbPO4 is not only one of the most compressible phosphates but also one of the most compressible compounds of the ABO4 family. Moreover, it has a considerable anisotropic compression behavior, with the largest compression occurring along a direction close to the a axis and governed by the compression of the LEP and the weak interlayer Sb-O bonds. The strong compression along the a axis leads to a subtle modification of the monoclinic crystal structure above 3 GPa, leading from a 2D to a 3D material. Moreover, the onset of a reversible pressure-induced phase transition is observed above 9 GPa, which is completed above 20 GPa. We propose that the high-pressure phase is a triclinic distortion of the original monoclinic phase. The understanding of the compression mechanism of SbPO4 can aid to improve the ion intercalation and catalytic properties of this layered compound.
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spelling Experimental and Theoretical Study of SbPO4 under CompressionSbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and linked by weak Sb-O electrostatic interactions. In fact, Sb has 4-fold coordination with O similarly to what occurs with the P-O coordination, despite the large difference in ionic radii and electronegativity between both elements. Here we report a joint experimental and theoretical study of the structural and vibrational properties of SbPO4 at high pressure. We show that SbPO4 is not only one of the most compressible phosphates but also one of the most compressible compounds of the ABO4 family. Moreover, it has a considerable anisotropic compression behavior, with the largest compression occurring along a direction close to the a axis and governed by the compression of the LEP and the weak interlayer Sb-O bonds. The strong compression along the a axis leads to a subtle modification of the monoclinic crystal structure above 3 GPa, leading from a 2D to a 3D material. Moreover, the onset of a reversible pressure-induced phase transition is observed above 9 GPa, which is completed above 20 GPa. We propose that the high-pressure phase is a triclinic distortion of the original monoclinic phase. The understanding of the compression mechanism of SbPO4 can aid to improve the ion intercalation and catalytic properties of this layered compound.Instituto de Disenõ Para la Fabricación y Producción Automatizada MALTA Consolider Team Universitat Politècnica de ValènciaGrupo de Pesquisa de Materiais Fotonicos e Energia Renovável-MaFER Universidade Federal da Grande DouradosDepartament de Física Aplicada-ICMUV MALTA Consolider Team Universitat de ValènciaCentro de Tecnologiás Físicas MALTA Consolider Team Universitat Politecnica de ValènciaCELLS-ALBA Synchrotron Light FacilityInstitut Laue-Langevin, 71 Avenue des Martyrs, CS 20156Departamento de Física Instituto de Materiales y Nanotecnologiá MALTA Consolider Team Universidad de la LagunaDepartament de Química Física i Analítica MALTA Consolider Team Universitat Jaume iDepartamento de Química Física y Analítica MALTA Consolider Team Universidad de OviedoInstituto de Quimica Departamento de Química Geral e Inorgânica UNESP-Campus de AraraquaraInstituto de Quimica Departamento de Química Geral e Inorgânica UNESP-Campus de AraraquaraUniversitat Politècnica de ValènciaUniversidade Federal da Grande DouradosUniversitat de ValènciaUniversitat Politecnica de ValènciaCELLS-ALBA Synchrotron Light FacilityInstitut Laue-LangevinUniversidad de la LagunaUniversitat Jaume iUniversidad de OviedoUniversidade Estadual Paulista (Unesp)Pereira, André Luis De JesusSantamariá-Pérez, DavidVilaplana, RosárioErrandonea, DanielPopescu, CatalinDa Silva, Estelina LoraSans, Juan AngelRodríguez-Carvajal, JuanMunõz, AlfonsoRodríguez-Hernández, PlácidaMujica, AndresRadescu, Silvana ElenaBeltrán, ArmandoOtero-De-La-Roza, AlbertoNalin, Marcelo [UNESP]Mollar, MiguelManjón, Francisco Javier2020-12-12T01:52:29Z2020-12-12T01:52:29Z2020-01-06info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article287-307http://dx.doi.org/10.1021/acs.inorgchem.9b02268Inorganic Chemistry, v. 59, n. 1, p. 287-307, 2020.1520-510X0020-1669http://hdl.handle.net/11449/19990610.1021/acs.inorgchem.9b022682-s2.0-85077480951Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengInorganic Chemistryinfo:eu-repo/semantics/openAccess2021-10-23T10:10:59Zoai:repositorio.unesp.br:11449/199906Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T14:39:47.018163Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Experimental and Theoretical Study of SbPO4 under Compression
title Experimental and Theoretical Study of SbPO4 under Compression
spellingShingle Experimental and Theoretical Study of SbPO4 under Compression
Pereira, André Luis De Jesus
title_short Experimental and Theoretical Study of SbPO4 under Compression
title_full Experimental and Theoretical Study of SbPO4 under Compression
title_fullStr Experimental and Theoretical Study of SbPO4 under Compression
title_full_unstemmed Experimental and Theoretical Study of SbPO4 under Compression
title_sort Experimental and Theoretical Study of SbPO4 under Compression
author Pereira, André Luis De Jesus
author_facet Pereira, André Luis De Jesus
Santamariá-Pérez, David
Vilaplana, Rosário
Errandonea, Daniel
Popescu, Catalin
Da Silva, Estelina Lora
Sans, Juan Angel
Rodríguez-Carvajal, Juan
Munõz, Alfonso
Rodríguez-Hernández, Plácida
Mujica, Andres
Radescu, Silvana Elena
Beltrán, Armando
Otero-De-La-Roza, Alberto
Nalin, Marcelo [UNESP]
Mollar, Miguel
Manjón, Francisco Javier
author_role author
author2 Santamariá-Pérez, David
Vilaplana, Rosário
Errandonea, Daniel
Popescu, Catalin
Da Silva, Estelina Lora
Sans, Juan Angel
Rodríguez-Carvajal, Juan
Munõz, Alfonso
Rodríguez-Hernández, Plácida
Mujica, Andres
Radescu, Silvana Elena
Beltrán, Armando
Otero-De-La-Roza, Alberto
Nalin, Marcelo [UNESP]
Mollar, Miguel
Manjón, Francisco Javier
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universitat Politècnica de València
Universidade Federal da Grande Dourados
Universitat de València
Universitat Politecnica de València
CELLS-ALBA Synchrotron Light Facility
Institut Laue-Langevin
Universidad de la Laguna
Universitat Jaume i
Universidad de Oviedo
Universidade Estadual Paulista (Unesp)
dc.contributor.author.fl_str_mv Pereira, André Luis De Jesus
Santamariá-Pérez, David
Vilaplana, Rosário
Errandonea, Daniel
Popescu, Catalin
Da Silva, Estelina Lora
Sans, Juan Angel
Rodríguez-Carvajal, Juan
Munõz, Alfonso
Rodríguez-Hernández, Plácida
Mujica, Andres
Radescu, Silvana Elena
Beltrán, Armando
Otero-De-La-Roza, Alberto
Nalin, Marcelo [UNESP]
Mollar, Miguel
Manjón, Francisco Javier
description SbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and linked by weak Sb-O electrostatic interactions. In fact, Sb has 4-fold coordination with O similarly to what occurs with the P-O coordination, despite the large difference in ionic radii and electronegativity between both elements. Here we report a joint experimental and theoretical study of the structural and vibrational properties of SbPO4 at high pressure. We show that SbPO4 is not only one of the most compressible phosphates but also one of the most compressible compounds of the ABO4 family. Moreover, it has a considerable anisotropic compression behavior, with the largest compression occurring along a direction close to the a axis and governed by the compression of the LEP and the weak interlayer Sb-O bonds. The strong compression along the a axis leads to a subtle modification of the monoclinic crystal structure above 3 GPa, leading from a 2D to a 3D material. Moreover, the onset of a reversible pressure-induced phase transition is observed above 9 GPa, which is completed above 20 GPa. We propose that the high-pressure phase is a triclinic distortion of the original monoclinic phase. The understanding of the compression mechanism of SbPO4 can aid to improve the ion intercalation and catalytic properties of this layered compound.
publishDate 2020
dc.date.none.fl_str_mv 2020-12-12T01:52:29Z
2020-12-12T01:52:29Z
2020-01-06
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://dx.doi.org/10.1021/acs.inorgchem.9b02268
Inorganic Chemistry, v. 59, n. 1, p. 287-307, 2020.
1520-510X
0020-1669
http://hdl.handle.net/11449/199906
10.1021/acs.inorgchem.9b02268
2-s2.0-85077480951
url http://dx.doi.org/10.1021/acs.inorgchem.9b02268
http://hdl.handle.net/11449/199906
identifier_str_mv Inorganic Chemistry, v. 59, n. 1, p. 287-307, 2020.
1520-510X
0020-1669
10.1021/acs.inorgchem.9b02268
2-s2.0-85077480951
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Inorganic Chemistry
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 287-307
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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