On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3

Autores
Abia, Carmen; Lopez, Carlos Alberto; Álvarez Galván, María Consuelo; Canadillas Delgado, Laura; Fernández Díaz, María Teresa; Alonso, José Antonio
Año de publicación
2021
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Although methylammonium lead triiodide (CH3NH3PbI3) is recognized as the best candidate for photovoltaic applications, unfortunately it undergoes fast degradation when exposed to moisture and mild temperatures. Among hybrid organic-inorganic perovskites, formamidinium lead tribromide (FA: formamidinium, CH(NH2)2+) is an excellent alternative given its long-term stability. Here we present a structural study from synchrotron X-ray and neutron diffraction of an undeuterated FAPbBr3 specimen, carried out to follow its crystallographic behaviour in the 1-298 K temperature range. Two phase transitions are identified; at 256-261 K from the cubic structure observed at RT (Pm3m), to a tetragonal symmetry (P4/mbm), and at 159-160 K to an orthorhombic phase (space group Pnma). Our neutron diffraction data allowed us to unveil the configuration of the organic FA units and their full localization within the mentioned temperature range, thus improving the crystallographic description of this compound. The evolution with temperature of the H-bonds between the organic molecule and the inorganic cage is followed. The UV-Vis diffuse reflectance spectrum shows a band gap of 2.23 eV, making it a suitable material for optoelectronic devices.
Fil: Abia, Carmen. Instituto de Ciencia de Materiales de Madrid; España. Institut Laue Langevin; Francia
Fil: Lopez, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina. Instituto de Ciencia de Materiales de Madrid; España
Fil: Álvarez Galván, María Consuelo. Consejo Superior de Investigaciones Científicas; España
Fil: Canadillas Delgado, Laura. Institut Laue Langevin; Francia
Fil: Fernández Díaz, María Teresa. Institut Laue Langevin; Francia
Fil: Alonso, José Antonio. Instituto de Ciencia de Materiales de Madrid; España
Materia
CH3NH3PbI3
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/171595
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/171595
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network_name_str CONICET Digital (CONICET)
spelling On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3Abia, CarmenLopez, Carlos AlbertoÁlvarez Galván, María ConsueloCanadillas Delgado, LauraFernández Díaz, María TeresaAlonso, José AntonioCH3NH3PbI3https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Although methylammonium lead triiodide (CH3NH3PbI3) is recognized as the best candidate for photovoltaic applications, unfortunately it undergoes fast degradation when exposed to moisture and mild temperatures. Among hybrid organic-inorganic perovskites, formamidinium lead tribromide (FA: formamidinium, CH(NH2)2+) is an excellent alternative given its long-term stability. Here we present a structural study from synchrotron X-ray and neutron diffraction of an undeuterated FAPbBr3 specimen, carried out to follow its crystallographic behaviour in the 1-298 K temperature range. Two phase transitions are identified; at 256-261 K from the cubic structure observed at RT (Pm3m), to a tetragonal symmetry (P4/mbm), and at 159-160 K to an orthorhombic phase (space group Pnma). Our neutron diffraction data allowed us to unveil the configuration of the organic FA units and their full localization within the mentioned temperature range, thus improving the crystallographic description of this compound. The evolution with temperature of the H-bonds between the organic molecule and the inorganic cage is followed. The UV-Vis diffuse reflectance spectrum shows a band gap of 2.23 eV, making it a suitable material for optoelectronic devices.Fil: Abia, Carmen. Instituto de Ciencia de Materiales de Madrid; España. Institut Laue Langevin; FranciaFil: Lopez, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Álvarez Galván, María Consuelo. Consejo Superior de Investigaciones Científicas; EspañaFil: Canadillas Delgado, Laura. Institut Laue Langevin; FranciaFil: Fernández Díaz, María Teresa. Institut Laue Langevin; FranciaFil: Alonso, José Antonio. Instituto de Ciencia de Materiales de Madrid; EspañaRoyal Society of Chemistry2021-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/171595Abia, Carmen; Lopez, Carlos Alberto; Álvarez Galván, María Consuelo; Canadillas Delgado, Laura; Fernández Díaz, María Teresa; et al.; On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3; Royal Society of Chemistry; Journal of Materials Chemistry C; 9; 47; 11-2021; 17003-170112050-75342050-7526CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2021/TC/D1TC04642Jinfo:eu-repo/semantics/altIdentifier/doi/10.1039/D1TC04642Jinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:53:08Zoai:ri.conicet.gov.ar:11336/171595instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:53:08.827CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
title On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
spellingShingle On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
Abia, Carmen
CH3NH3PbI3
title_short On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
title_full On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
title_fullStr On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
title_full_unstemmed On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
title_sort On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3
dc.creator.none.fl_str_mv Abia, Carmen
Lopez, Carlos Alberto
Álvarez Galván, María Consuelo
Canadillas Delgado, Laura
Fernández Díaz, María Teresa
Alonso, José Antonio
author Abia, Carmen
author_facet Abia, Carmen
Lopez, Carlos Alberto
Álvarez Galván, María Consuelo
Canadillas Delgado, Laura
Fernández Díaz, María Teresa
Alonso, José Antonio
author_role author
author2 Lopez, Carlos Alberto
Álvarez Galván, María Consuelo
Canadillas Delgado, Laura
Fernández Díaz, María Teresa
Alonso, José Antonio
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv CH3NH3PbI3
topic CH3NH3PbI3
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Although methylammonium lead triiodide (CH3NH3PbI3) is recognized as the best candidate for photovoltaic applications, unfortunately it undergoes fast degradation when exposed to moisture and mild temperatures. Among hybrid organic-inorganic perovskites, formamidinium lead tribromide (FA: formamidinium, CH(NH2)2+) is an excellent alternative given its long-term stability. Here we present a structural study from synchrotron X-ray and neutron diffraction of an undeuterated FAPbBr3 specimen, carried out to follow its crystallographic behaviour in the 1-298 K temperature range. Two phase transitions are identified; at 256-261 K from the cubic structure observed at RT (Pm3m), to a tetragonal symmetry (P4/mbm), and at 159-160 K to an orthorhombic phase (space group Pnma). Our neutron diffraction data allowed us to unveil the configuration of the organic FA units and their full localization within the mentioned temperature range, thus improving the crystallographic description of this compound. The evolution with temperature of the H-bonds between the organic molecule and the inorganic cage is followed. The UV-Vis diffuse reflectance spectrum shows a band gap of 2.23 eV, making it a suitable material for optoelectronic devices.
Fil: Abia, Carmen. Instituto de Ciencia de Materiales de Madrid; España. Institut Laue Langevin; Francia
Fil: Lopez, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina. Instituto de Ciencia de Materiales de Madrid; España
Fil: Álvarez Galván, María Consuelo. Consejo Superior de Investigaciones Científicas; España
Fil: Canadillas Delgado, Laura. Institut Laue Langevin; Francia
Fil: Fernández Díaz, María Teresa. Institut Laue Langevin; Francia
Fil: Alonso, José Antonio. Instituto de Ciencia de Materiales de Madrid; España
description Although methylammonium lead triiodide (CH3NH3PbI3) is recognized as the best candidate for photovoltaic applications, unfortunately it undergoes fast degradation when exposed to moisture and mild temperatures. Among hybrid organic-inorganic perovskites, formamidinium lead tribromide (FA: formamidinium, CH(NH2)2+) is an excellent alternative given its long-term stability. Here we present a structural study from synchrotron X-ray and neutron diffraction of an undeuterated FAPbBr3 specimen, carried out to follow its crystallographic behaviour in the 1-298 K temperature range. Two phase transitions are identified; at 256-261 K from the cubic structure observed at RT (Pm3m), to a tetragonal symmetry (P4/mbm), and at 159-160 K to an orthorhombic phase (space group Pnma). Our neutron diffraction data allowed us to unveil the configuration of the organic FA units and their full localization within the mentioned temperature range, thus improving the crystallographic description of this compound. The evolution with temperature of the H-bonds between the organic molecule and the inorganic cage is followed. The UV-Vis diffuse reflectance spectrum shows a band gap of 2.23 eV, making it a suitable material for optoelectronic devices.
publishDate 2021
dc.date.none.fl_str_mv 2021-11
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/171595
Abia, Carmen; Lopez, Carlos Alberto; Álvarez Galván, María Consuelo; Canadillas Delgado, Laura; Fernández Díaz, María Teresa; et al.; On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3; Royal Society of Chemistry; Journal of Materials Chemistry C; 9; 47; 11-2021; 17003-17011
2050-7534
2050-7526
CONICET Digital
CONICET
url http://hdl.handle.net/11336/171595
identifier_str_mv Abia, Carmen; Lopez, Carlos Alberto; Álvarez Galván, María Consuelo; Canadillas Delgado, Laura; Fernández Díaz, María Teresa; et al.; On the crystal structure thermal evolution of formamidinium lead tribromide, CH(NH2)2PbBr3; Royal Society of Chemistry; Journal of Materials Chemistry C; 9; 47; 11-2021; 17003-17011
2050-7534
2050-7526
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2021/TC/D1TC04642J
info:eu-repo/semantics/altIdentifier/doi/10.1039/D1TC04642J
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844613626252492800
score 13.070432

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