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

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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Autores: Gracia, David, Cuartero, Vera, Popescu, Catalin, Trapali, Adelais, Mallah, Talal, Boillot, Marie-Laure, Blasco, Javier, Subías, Gloria, Evangelisti, Marco
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/399481
Acceso en línea:http://hdl.handle.net/10261/399481
Access Level:acceso abierto
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spelling Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover materialGracia, DavidCuartero, VeraPopescu, CatalinTrapali, AdelaisMallah, TalalBoillot, Marie-LaureBlasco, JavierSubías, GloriaEvangelisti, MarcoWe 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 70–79 J kg−1 K−1 range and adiabatic temperature changes between 20 and 26 K for a pressure change of 2.0 kbar. Although the effect diminishes under reversible conditions, it remains substantial, with values of 70 J kg−1 K−1 and 14 K, respectively.This work was funded by MICIU/AEI/10.13039/501100011033 and ERDF/UE (PID2021-124734OB-C21, CEX2023-001286-S), Gobierno de Aragón (E11-23R, E12-23R) and Fundación IberCaja and Universidad de Zaragoza (JIUZ2023-CIE-05). D. G. acknowledges financial support from the Gobierno de Aragón through a doctoral fellowship.With funding from the Spanish government through the "Severo Ochoa Centre of Excellence" accreditation (CEX2023-001286-S).Peer reviewedRoyal Society of Chemistry (UK)Agencia Estatal de Investigación (España)Ministerio de Ciencia, Innovación y Universidades (España)European CommissionGobierno de AragónIbercaja Obra SocialUniversidad de ZaragozaConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252025info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/399481reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-124734OB-C21info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001286-SThe underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1039/D5TA00033EGracia, David; Cuartero, Vera; Popescu, Catalina; Trapali, Adelais; Mallah, Talal; Boillot, Marie-Laure; Blasco, Javier; Subías, Gloria; Evangelisti, Marco; 2025; Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]; DIGITAL.CSIC; https://doi.org/10.20350/digitalCSIC/16990https://doi.org/10.1039/D5TA00033ESíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3994812026-05-22T06:33:51Z
dc.title.none.fl_str_mv Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
title Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
spellingShingle Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
Gracia, David
title_short Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
title_full Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
title_fullStr Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
title_full_unstemmed Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
title_sort Room-temperature barocaloric effect in [Fe(pap-5NO2)2] spin-crossover material
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 Agencia Estatal de Investigación (España)
Ministerio de Ciencia, Innovación y Universidades (España)
European Commission
Gobierno de Aragón
Ibercaja Obra Social
Universidad de Zaragoza
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
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 70–79 J kg−1 K−1 range and adiabatic temperature changes between 20 and 26 K for a pressure change of 2.0 kbar. Although the effect diminishes under reversible conditions, it remains substantial, with values of 70 J kg−1 K−1 and 14 K, respectively.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/399481
url http://hdl.handle.net/10261/399481
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-124734OB-C21
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001286-S
The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1039/D5TA00033E
Gracia, David; Cuartero, Vera; Popescu, Catalina; Trapali, Adelais; Mallah, Talal; Boillot, Marie-Laure; Blasco, Javier; Subías, Gloria; Evangelisti, Marco; 2025; Room-temperature barocaloric effect in [Fe(pap 5NO2)2] spin-crossover material [Dataset]; DIGITAL.CSIC; https://doi.org/10.20350/digitalCSIC/16990
https://doi.org/10.1039/D5TA00033E
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry (UK)
publisher.none.fl_str_mv Royal Society of Chemistry (UK)
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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