Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]

We examine the pressure dependence of the spin-crossover transition in [Fe(pap-5NO2)2] that occurs near room temperature. We employ a combination of high-pressure calorimetry and powder X-ray diffraction measurements, conducted both under variable-pressure and variable temperature conditions. Both m...

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Detalles Bibliográficos
Autores: Gracia, David, Cuartero, Vera, Popescu, Catalin, Trapali, Adelais, Mallah, Talal, Boillot, Marie-Laure, Blasco, Javier, Subías, Gloria, Evangelisti, Marco
Tipo de recurso: conjunto de datos
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/375346
Acceso en línea:http://hdl.handle.net/10261/375346
https://doi.org/10.20350/digitalCSIC/16990
Access Level:acceso abierto
Palabra clave:Energy
Barocaloric effect
Spin-crossover
Synchrotron
Magnetism
High pressure
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spelling Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]Gracia, DavidCuartero, VeraPopescu, CatalinTrapali, AdelaisMallah, TalalBoillot, Marie-LaureBlasco, JavierSubías, GloriaEvangelisti, MarcoEnergyBarocaloric effectSpin-crossoverSynchrotronMagnetismHigh pressureWe examine the pressure dependence of the spin-crossover transition in [Fe(pap-5NO2)2] that occurs near room temperature. We employ a combination of high-pressure calorimetry and powder X-ray diffraction measurements, conducted both under variable-pressure and variable temperature conditions. Both methods indicate that the spin-crossover transition shifts linearly to higher temperatures with increasing pressure, while simultaneously exhibiting an increase in the width of the thermal hysteresis. We report a giant barocaloric effect, revealing isothermal entropy changes in the 70.2-79.1 J kg-1 K-1 range and adiabatic temperature changes between 19.6 and 25.9 K for a pressure change of 2 kbar. Although the effect diminishes under reversible conditions, it remains substantial, with values of 70.2 J kg-1 K-1 and 13.5 K, respectively.Peer reviewedDIGITAL.CSICGracia, David [0000-0002-3511-3510]Cuartero, Vera [0000-0002-8021-8709]Blasco, Javier [0000-0002-9706-3272]Subías, Gloria [0000-0002-9029-1977]Evangelisti, Marco [0000-0002-8028-9064]Gracia, David [davidg@unizar.es]Evangelisti, Marco [evange@unizar.es]Gracia, DavidCuartero, VeraPopescu, CatalinaTrapali, AdelaisBlasco, JavierSubías, GloriaEvangelisti, MarcoConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202420242025info:eu-repo/semantics/datasethttp://purl.org/coar/resource_type/c_ddb1dathttp://hdl.handle.net/10261/375346https://doi.org/10.20350/digitalCSIC/16990reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésGracia D, Cuartero V, Popescu C, Trapali A, Mallah T, Boillot M-L, et al. Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material. ChemRxiv. 2024; doi:10.26434/chemrxiv-2024-wcb80Gracia, David; Cuartero, Vera; Popescu, Catalin; Trapali, Adelais; Mallah, Talal; Boillot, Marie-Laure; Blasco, Javier; Subías, Gloria; Evangelisti, Marco. Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material. https://doi.org/10.1039/D5TA00033E. http://hdl.handle.net/10261/399481Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3753462026-05-22T06:33:51Z
dc.title.none.fl_str_mv Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
title Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
spellingShingle Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
Gracia, David
Energy
Barocaloric effect
Spin-crossover
Synchrotron
Magnetism
High pressure
title_short Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
title_full Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
title_fullStr Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
title_full_unstemmed Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
title_sort Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]
dc.creator.none.fl_str_mv Gracia, David
Cuartero, Vera
Popescu, Catalin
Trapali, Adelais
Mallah, Talal
Boillot, Marie-Laure
Blasco, Javier
Subías, Gloria
Evangelisti, Marco
author Gracia, David
author_facet Gracia, David
Cuartero, Vera
Popescu, Catalin
Trapali, Adelais
Mallah, Talal
Boillot, Marie-Laure
Blasco, Javier
Subías, Gloria
Evangelisti, Marco
author_role author
author2 Cuartero, Vera
Popescu, Catalin
Trapali, Adelais
Mallah, Talal
Boillot, Marie-Laure
Blasco, Javier
Subías, Gloria
Evangelisti, Marco
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Gracia, David [0000-0002-3511-3510]
Cuartero, Vera [0000-0002-8021-8709]
Blasco, Javier [0000-0002-9706-3272]
Subías, Gloria [0000-0002-9029-1977]
Evangelisti, Marco [0000-0002-8028-9064]
Gracia, David [davidg@unizar.es]
Evangelisti, Marco [evange@unizar.es]
Gracia, David
Cuartero, Vera
Popescu, Catalina
Trapali, Adelais
Blasco, Javier
Subías, Gloria
Evangelisti, Marco
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Energy
Barocaloric effect
Spin-crossover
Synchrotron
Magnetism
High pressure
topic Energy
Barocaloric effect
Spin-crossover
Synchrotron
Magnetism
High pressure
description We examine the pressure dependence of the spin-crossover transition in [Fe(pap-5NO2)2] that occurs near room temperature. We employ a combination of high-pressure calorimetry and powder X-ray diffraction measurements, conducted both under variable-pressure and variable temperature conditions. Both methods indicate that the spin-crossover transition shifts linearly to higher temperatures with increasing pressure, while simultaneously exhibiting an increase in the width of the thermal hysteresis. We report a giant barocaloric effect, revealing isothermal entropy changes in the 70.2-79.1 J kg-1 K-1 range and adiabatic temperature changes between 19.6 and 25.9 K for a pressure change of 2 kbar. Although the effect diminishes under reversible conditions, it remains substantial, with values of 70.2 J kg-1 K-1 and 13.5 K, respectively.
publishDate 2024
dc.date.none.fl_str_mv 2024
2024
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/dataset
http://purl.org/coar/resource_type/c_ddb1
format dataset
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/375346
https://doi.org/10.20350/digitalCSIC/16990
url http://hdl.handle.net/10261/375346
https://doi.org/10.20350/digitalCSIC/16990
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Gracia D, Cuartero V, Popescu C, Trapali A, Mallah T, Boillot M-L, et al. Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material. ChemRxiv. 2024; doi:10.26434/chemrxiv-2024-wcb80
Gracia, David; Cuartero, Vera; Popescu, Catalin; Trapali, Adelais; Mallah, Talal; Boillot, Marie-Laure; Blasco, Javier; Subías, Gloria; Evangelisti, Marco. Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material. https://doi.org/10.1039/D5TA00033E. http://hdl.handle.net/10261/399481
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv dat
dc.publisher.none.fl_str_mv DIGITAL.CSIC
publisher.none.fl_str_mv DIGITAL.CSIC
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.811543

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