Experimental and Theoretical Study of SbPO4 under Compression
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | , , , , , , , , , , , , , , , |
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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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 |
|
_version_ |
1808128397265600512 |