The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry

Autores
Abia, Carmen; Lopez, Carlos Alberto; Gainza, Javier; Rodrigues, João Elias F. S.; Ferrer, Mateus M.; Nemes, N. M.; Dura, Oscar J.; Martínez, José L.; Fernández Díaz, María T.; Álvarez Galván, Consuelo; Németh, Gergely; Kamarás, Katalin; Fauth, François; Alonso, José A.
Año de publicación
2022
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Rubidium di-lead pentabromide, RbPb2Br5, belongs to a family of layered lead-containing halides, with the common formula APb2X5 (where A = K, Rb, Cs; X = Cl, Br). The optical properties of RbPb2Br5 and rare-earth doped specimens are promising as low-phonon energy materials for tunable middle infrared and long-wavelength infrared laser sources, with suitable stability and resistance to wet conditions. In contrast to CsPb2Br5, the Rb counterpart has been barely studied and deserves further attention. Up to now, there have been no experimental reports on the transport properties such as the electronic conductivity, Seebeck coefficient or thermal transport. We describe here that this material can be prepared by ball milling in a straightforward way, yielding specimens with superior crystallinity. A structural investigation using synchrotron X-ray powder diffraction (SXRD) data combined with neutron powder diffraction (NPD) in a wide temperature range, from 15 to 573 K, was essential to evaluate the thermal evolution and to determine the Debye constants, yielding information on the relative Rb-Br and Pb-Br chemical bonds. In combination with DSC and TG measurements, no phase transitions were observed. Furthermore, an analysis of SXRD and NPD data (XRD-NPD) at room temperature reveals the directions of electron lone pair of Pb2+ ions lead atoms: its stereochemical effect is obvious in the [PbBr8] octahedral distortions. Diffuse reflectance UV-Vis spectroscopy yields an optical gap of 3.36 eV, close to that determined for a single-crystal material. Photoluminescence measurements indicate a lack of overlap between the excitation and emission spectra, due to the considerable Stokes shift, which prohibits self-absorption and thus enables applications in photovoltaics and biomedicine. The experimental information about the chemical bonds and band gap was studied via first-principles calculations. A maximum positive Seebeck coefficient of 3 200 μV K−1 is obtained at 560 K, which is one order of magnitude higher than those reported for other halide perovskites.
Fil: Abia, Carmen. Institut Laue Langevin; Francia. Instituto de Ciencia de Materiales de Madrid; España
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. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Área Química General e Inorgánica; Argentina
Fil: Gainza, Javier. Instituto de Ciencia de Materiales de Madrid; España
Fil: Rodrigues, João Elias F. S.. European Synchrotron Radiation; Francia. Instituto de Ciencia de Materiales de Madrid; España
Fil: Ferrer, Mateus M.. Universidade Federal de Pelotas; Brasil
Fil: Nemes, N. M.. Instituto de Ciencia de Materiales de Madrid; España. Universidad Complutense de Madrid; España
Fil: Dura, Oscar J.. Universidad de Castilla-La Mancha; España
Fil: Martínez, José L.. Instituto de Ciencia de Materiales de Madrid; España
Fil: Fernández Díaz, María T.. Institut Laue Langevin; Francia
Fil: Álvarez Galván, Consuelo. Consejo Superior de Investigaciones Científicas; España
Fil: Németh, Gergely. No especifíca;
Fil: Kamarás, Katalin. No especifíca;
Fil: Fauth, François. No especifíca;
Fil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; España
Materia
RbPb2Br5
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/210483

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oai_identifier_str oai:ri.conicet.gov.ar:11336/210483
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistryAbia, CarmenLopez, Carlos AlbertoGainza, JavierRodrigues, João Elias F. S.Ferrer, Mateus M.Nemes, N. M.Dura, Oscar J.Martínez, José L.Fernández Díaz, María T.Álvarez Galván, ConsueloNémeth, GergelyKamarás, KatalinFauth, FrançoisAlonso, José A.RbPb2Br5https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Rubidium di-lead pentabromide, RbPb2Br5, belongs to a family of layered lead-containing halides, with the common formula APb2X5 (where A = K, Rb, Cs; X = Cl, Br). The optical properties of RbPb2Br5 and rare-earth doped specimens are promising as low-phonon energy materials for tunable middle infrared and long-wavelength infrared laser sources, with suitable stability and resistance to wet conditions. In contrast to CsPb2Br5, the Rb counterpart has been barely studied and deserves further attention. Up to now, there have been no experimental reports on the transport properties such as the electronic conductivity, Seebeck coefficient or thermal transport. We describe here that this material can be prepared by ball milling in a straightforward way, yielding specimens with superior crystallinity. A structural investigation using synchrotron X-ray powder diffraction (SXRD) data combined with neutron powder diffraction (NPD) in a wide temperature range, from 15 to 573 K, was essential to evaluate the thermal evolution and to determine the Debye constants, yielding information on the relative Rb-Br and Pb-Br chemical bonds. In combination with DSC and TG measurements, no phase transitions were observed. Furthermore, an analysis of SXRD and NPD data (XRD-NPD) at room temperature reveals the directions of electron lone pair of Pb2+ ions lead atoms: its stereochemical effect is obvious in the [PbBr8] octahedral distortions. Diffuse reflectance UV-Vis spectroscopy yields an optical gap of 3.36 eV, close to that determined for a single-crystal material. Photoluminescence measurements indicate a lack of overlap between the excitation and emission spectra, due to the considerable Stokes shift, which prohibits self-absorption and thus enables applications in photovoltaics and biomedicine. The experimental information about the chemical bonds and band gap was studied via first-principles calculations. A maximum positive Seebeck coefficient of 3 200 μV K−1 is obtained at 560 K, which is one order of magnitude higher than those reported for other halide perovskites.Fil: Abia, Carmen. Institut Laue Langevin; Francia. Instituto de Ciencia de Materiales de Madrid; EspañaFil: 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. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Área Química General e Inorgánica; ArgentinaFil: Gainza, Javier. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Rodrigues, João Elias F. S.. European Synchrotron Radiation; Francia. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Ferrer, Mateus M.. Universidade Federal de Pelotas; BrasilFil: Nemes, N. M.. Instituto de Ciencia de Materiales de Madrid; España. Universidad Complutense de Madrid; EspañaFil: Dura, Oscar J.. Universidad de Castilla-La Mancha; EspañaFil: Martínez, José L.. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Fernández Díaz, María T.. Institut Laue Langevin; FranciaFil: Álvarez Galván, Consuelo. Consejo Superior de Investigaciones Científicas; EspañaFil: Németh, Gergely. No especifíca;Fil: Kamarás, Katalin. No especifíca;Fil: Fauth, François. No especifíca;Fil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; EspañaRoyal Society of Chemistry2022-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/210483Abia, Carmen; Lopez, Carlos Alberto; Gainza, Javier; Rodrigues, João Elias F. S.; Ferrer, Mateus M.; et al.; The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry; Royal Society of Chemistry; Journal of Materials Chemistry C; 10; 3-2022; 6857-68652050-7534CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/d2tc00653ginfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:53:31Zoai:ri.conicet.gov.ar:11336/210483instacron: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 09:53:31.509CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
title The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
spellingShingle The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
Abia, Carmen
RbPb2Br5
title_short The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
title_full The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
title_fullStr The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
title_full_unstemmed The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
title_sort The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry
dc.creator.none.fl_str_mv Abia, Carmen
Lopez, Carlos Alberto
Gainza, Javier
Rodrigues, João Elias F. S.
Ferrer, Mateus M.
Nemes, N. M.
Dura, Oscar J.
Martínez, José L.
Fernández Díaz, María T.
Álvarez Galván, Consuelo
Németh, Gergely
Kamarás, Katalin
Fauth, François
Alonso, José A.
author Abia, Carmen
author_facet Abia, Carmen
Lopez, Carlos Alberto
Gainza, Javier
Rodrigues, João Elias F. S.
Ferrer, Mateus M.
Nemes, N. M.
Dura, Oscar J.
Martínez, José L.
Fernández Díaz, María T.
Álvarez Galván, Consuelo
Németh, Gergely
Kamarás, Katalin
Fauth, François
Alonso, José A.
author_role author
author2 Lopez, Carlos Alberto
Gainza, Javier
Rodrigues, João Elias F. S.
Ferrer, Mateus M.
Nemes, N. M.
Dura, Oscar J.
Martínez, José L.
Fernández Díaz, María T.
Álvarez Galván, Consuelo
Németh, Gergely
Kamarás, Katalin
Fauth, François
Alonso, José A.
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv RbPb2Br5
topic RbPb2Br5
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Rubidium di-lead pentabromide, RbPb2Br5, belongs to a family of layered lead-containing halides, with the common formula APb2X5 (where A = K, Rb, Cs; X = Cl, Br). The optical properties of RbPb2Br5 and rare-earth doped specimens are promising as low-phonon energy materials for tunable middle infrared and long-wavelength infrared laser sources, with suitable stability and resistance to wet conditions. In contrast to CsPb2Br5, the Rb counterpart has been barely studied and deserves further attention. Up to now, there have been no experimental reports on the transport properties such as the electronic conductivity, Seebeck coefficient or thermal transport. We describe here that this material can be prepared by ball milling in a straightforward way, yielding specimens with superior crystallinity. A structural investigation using synchrotron X-ray powder diffraction (SXRD) data combined with neutron powder diffraction (NPD) in a wide temperature range, from 15 to 573 K, was essential to evaluate the thermal evolution and to determine the Debye constants, yielding information on the relative Rb-Br and Pb-Br chemical bonds. In combination with DSC and TG measurements, no phase transitions were observed. Furthermore, an analysis of SXRD and NPD data (XRD-NPD) at room temperature reveals the directions of electron lone pair of Pb2+ ions lead atoms: its stereochemical effect is obvious in the [PbBr8] octahedral distortions. Diffuse reflectance UV-Vis spectroscopy yields an optical gap of 3.36 eV, close to that determined for a single-crystal material. Photoluminescence measurements indicate a lack of overlap between the excitation and emission spectra, due to the considerable Stokes shift, which prohibits self-absorption and thus enables applications in photovoltaics and biomedicine. The experimental information about the chemical bonds and band gap was studied via first-principles calculations. A maximum positive Seebeck coefficient of 3 200 μV K−1 is obtained at 560 K, which is one order of magnitude higher than those reported for other halide perovskites.
Fil: Abia, Carmen. Institut Laue Langevin; Francia. Instituto de Ciencia de Materiales de Madrid; España
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. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Área Química General e Inorgánica; Argentina
Fil: Gainza, Javier. Instituto de Ciencia de Materiales de Madrid; España
Fil: Rodrigues, João Elias F. S.. European Synchrotron Radiation; Francia. Instituto de Ciencia de Materiales de Madrid; España
Fil: Ferrer, Mateus M.. Universidade Federal de Pelotas; Brasil
Fil: Nemes, N. M.. Instituto de Ciencia de Materiales de Madrid; España. Universidad Complutense de Madrid; España
Fil: Dura, Oscar J.. Universidad de Castilla-La Mancha; España
Fil: Martínez, José L.. Instituto de Ciencia de Materiales de Madrid; España
Fil: Fernández Díaz, María T.. Institut Laue Langevin; Francia
Fil: Álvarez Galván, Consuelo. Consejo Superior de Investigaciones Científicas; España
Fil: Németh, Gergely. No especifíca;
Fil: Kamarás, Katalin. No especifíca;
Fil: Fauth, François. No especifíca;
Fil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; España
description Rubidium di-lead pentabromide, RbPb2Br5, belongs to a family of layered lead-containing halides, with the common formula APb2X5 (where A = K, Rb, Cs; X = Cl, Br). The optical properties of RbPb2Br5 and rare-earth doped specimens are promising as low-phonon energy materials for tunable middle infrared and long-wavelength infrared laser sources, with suitable stability and resistance to wet conditions. In contrast to CsPb2Br5, the Rb counterpart has been barely studied and deserves further attention. Up to now, there have been no experimental reports on the transport properties such as the electronic conductivity, Seebeck coefficient or thermal transport. We describe here that this material can be prepared by ball milling in a straightforward way, yielding specimens with superior crystallinity. A structural investigation using synchrotron X-ray powder diffraction (SXRD) data combined with neutron powder diffraction (NPD) in a wide temperature range, from 15 to 573 K, was essential to evaluate the thermal evolution and to determine the Debye constants, yielding information on the relative Rb-Br and Pb-Br chemical bonds. In combination with DSC and TG measurements, no phase transitions were observed. Furthermore, an analysis of SXRD and NPD data (XRD-NPD) at room temperature reveals the directions of electron lone pair of Pb2+ ions lead atoms: its stereochemical effect is obvious in the [PbBr8] octahedral distortions. Diffuse reflectance UV-Vis spectroscopy yields an optical gap of 3.36 eV, close to that determined for a single-crystal material. Photoluminescence measurements indicate a lack of overlap between the excitation and emission spectra, due to the considerable Stokes shift, which prohibits self-absorption and thus enables applications in photovoltaics and biomedicine. The experimental information about the chemical bonds and band gap was studied via first-principles calculations. A maximum positive Seebeck coefficient of 3 200 μV K−1 is obtained at 560 K, which is one order of magnitude higher than those reported for other halide perovskites.
publishDate 2022
dc.date.none.fl_str_mv 2022-03
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/11336/210483
Abia, Carmen; Lopez, Carlos Alberto; Gainza, Javier; Rodrigues, João Elias F. S.; Ferrer, Mateus M.; et al.; The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry; Royal Society of Chemistry; Journal of Materials Chemistry C; 10; 3-2022; 6857-6865
2050-7534
CONICET Digital
CONICET
url http://hdl.handle.net/11336/210483
identifier_str_mv Abia, Carmen; Lopez, Carlos Alberto; Gainza, Javier; Rodrigues, João Elias F. S.; Ferrer, Mateus M.; et al.; The structural evolution, optical gap, and thermoelectric properties of the RbPb2Br5 layered halide, prepared by mechanochemistry; Royal Society of Chemistry; Journal of Materials Chemistry C; 10; 3-2022; 6857-6865
2050-7534
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/d2tc00653g
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/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
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