Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation

[EN] The rational design and in deep understanding of efficient, affordable and stable materials to promote the light-assisted production of fuels and commodity chemicals is very appealing for energy crisis and climate change amelioration. Herein, we have prepared a series of Co-doped hydroxyapatite...

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Autores: Peng, Yong, Szalad, Horatiu, Nikacevic, Pavle, Gorni, Giulio, Simonelli, Laura, López, Núria, Goberna-Ferrón, Sara|||0000-0002-3306-3791, Albero-Sancho, Josep|||0000-0002-4841-7206, García Gómez, Hermenegildo|||0000-0002-9664-493X
Tipo de recurso: artículo
Fecha de publicación:2023
País:España
Institución:Universitat Politècnica de València (UPV)
Repositorio:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
Idioma:inglés
OAI Identifier:oai:riunet.upv.es:10251/196983
Acceso en línea:https://riunet.upv.es/handle/10251/196983
Access Level:acceso abierto
Palabra clave:Photothermal catalysis
CO2 reduction
Metal doping
Hydroxyapatite
Visible light
Localized metal surface plasmon resonance
QUIMICA ORGANICA
id ES_ea6da6cdf4b89bfda20fa593b72cb4e5
oai_identifier_str oai:riunet.upv.es:10251/196983
network_acronym_str ES
network_name_str España
repository_id_str
dc.title.none.fl_str_mv Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
title Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
spellingShingle Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
Peng, Yong
Photothermal catalysis
CO2 reduction
Metal doping
Hydroxyapatite
Visible light
Localized metal surface plasmon resonance
QUIMICA ORGANICA
title_short Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
title_full Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
title_fullStr Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
title_full_unstemmed Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
title_sort Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
dc.creator.none.fl_str_mv Peng, Yong
Szalad, Horatiu
Nikacevic, Pavle
Gorni, Giulio
Simonelli, Laura
López, Núria
Goberna-Ferrón, Sara|||0000-0002-3306-3791
Albero-Sancho, Josep|||0000-0002-4841-7206
García Gómez, Hermenegildo|||0000-0002-9664-493X
author Peng, Yong
author_facet Peng, Yong
Szalad, Horatiu
Nikacevic, Pavle
Gorni, Giulio
Simonelli, Laura
López, Núria
Goberna-Ferrón, Sara|||0000-0002-3306-3791
Albero-Sancho, Josep|||0000-0002-4841-7206
García Gómez, Hermenegildo|||0000-0002-9664-493X
author_role author
author2 Szalad, Horatiu
Nikacevic, Pavle
Gorni, Giulio
Simonelli, Laura
López, Núria
Goberna-Ferrón, Sara|||0000-0002-3306-3791
Albero-Sancho, Josep|||0000-0002-4841-7206
García Gómez, Hermenegildo|||0000-0002-9664-493X
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Instituto Universitario Mixto de Tecnología Química
Departamento de Química
Escuela Técnica Superior de Ingeniería Industrial
European Commission
Generalitat Valenciana
Agencia Estatal de Investigación
European Regional Development Fund
Ministerio de Ciencia e Innovación
Universitat Politècnica de València
Repositorio Institucional de la Universitat Politècnica de València Riunet
dc.subject.none.fl_str_mv Photothermal catalysis
CO2 reduction
Metal doping
Hydroxyapatite
Visible light
Localized metal surface plasmon resonance
QUIMICA ORGANICA
topic Photothermal catalysis
CO2 reduction
Metal doping
Hydroxyapatite
Visible light
Localized metal surface plasmon resonance
QUIMICA ORGANICA
description [EN] The rational design and in deep understanding of efficient, affordable and stable materials to promote the light-assisted production of fuels and commodity chemicals is very appealing for energy crisis and climate change amelioration. Herein, we have prepared a series of Co-doped hydroxyapatite (HAP) catalysts with different Co content. The materials structure has been widely investigated by XRD, FT-IR, HRTEM, XPS, XAS, as well as computational simulations based on Density Functional Theory (DFT) with PBE functional. At low Co loading, there is a partial substitution of Ca cations in the HAP structure, while higher loadings promote the precipitation of small (similar to 2 nm) Co nanoparticles on the HAP surface. For the optimal Co content, a constant CO rate of 62 mmol center dot g(-1)center dot h(-1) at 1 sun illumination and 400 degrees C, with the material being stable for 90 h. Visible and NIR photons have been determined responsible of the light-assisted activity enhanced. Mechanistic studies based on both experimental and DFT simulations show that H-2 preferentially adsorbs to metallic Co, while CO2 adsorbs to the HAP surface oxygen. Moreover, both direct photo- and plasmon-driven contributions have been separated in order to study their mechanisms independently.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023-09-15
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://riunet.upv.es/handle/10251/196983
url https://riunet.upv.es/handle/10251/196983
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv European Commission https://doi.org/10.13039/501100000780 H2020 861151
Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 PID2021-126071OB-C21 APLICANDO MXENOS COMO CATALIZADORES DEFINITIVOS PARA LA PRODUCCIÓN DE COMBUSTIBLES SOLARES
European Commission https://doi.org/10.13039/501100000780 H2020 862453
Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 CEX2021-001230-S CENTRO DE EXCELENCIA SEVERO OCHO INSTITUTO DE TECNOLOGIA QUIMICA (ITQ)
Generalitat Valenciana https://doi.org/10.13039/501100003359 PROMETEO%2F2021%2F038
Generalitat Valenciana https://doi.org/10.13039/501100003359 MFA-2022-023
Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 CEX2019-000925-S
Ministerio de Ciencia e Innovación http://dx.doi.org/10.13039/501100004837 PLEC2021-7831
Ministerio de Ciencia e Innovación http://dx.doi.org/10.13039/501100004837 RYC2021-031006-I
Ministerio de Ciencia e Innovación http://dx.doi.org/10.13039/501100004837 PID2021-122515OB-I00
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Reconocimiento - No comercial - Sin obra derivada (by-nc-nd)
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Reconocimiento - No comercial - Sin obra derivada (by-nc-nd)
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname:Universitat Politècnica de València (UPV)
instname_str Universitat Politècnica de València (UPV)
reponame_str RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
collection RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
repository.name.fl_str_mv
repository.mail.fl_str_mv
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spelling Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenationPeng, YongSzalad, HoratiuNikacevic, PavleGorni, GiulioSimonelli, LauraLópez, NúriaGoberna-Ferrón, Sara|||0000-0002-3306-3791Albero-Sancho, Josep|||0000-0002-4841-7206García Gómez, Hermenegildo|||0000-0002-9664-493XPhotothermal catalysisCO2 reductionMetal dopingHydroxyapatiteVisible lightLocalized metal surface plasmon resonanceQUIMICA ORGANICA[EN] The rational design and in deep understanding of efficient, affordable and stable materials to promote the light-assisted production of fuels and commodity chemicals is very appealing for energy crisis and climate change amelioration. Herein, we have prepared a series of Co-doped hydroxyapatite (HAP) catalysts with different Co content. The materials structure has been widely investigated by XRD, FT-IR, HRTEM, XPS, XAS, as well as computational simulations based on Density Functional Theory (DFT) with PBE functional. At low Co loading, there is a partial substitution of Ca cations in the HAP structure, while higher loadings promote the precipitation of small (similar to 2 nm) Co nanoparticles on the HAP surface. For the optimal Co content, a constant CO rate of 62 mmol center dot g(-1)center dot h(-1) at 1 sun illumination and 400 degrees C, with the material being stable for 90 h. Visible and NIR photons have been determined responsible of the light-assisted activity enhanced. Mechanistic studies based on both experimental and DFT simulations show that H-2 preferentially adsorbs to metallic Co, while CO2 adsorbs to the HAP surface oxygen. Moreover, both direct photo- and plasmon-driven contributions have been separated in order to study their mechanisms independently.Financial support by European Comission (FlowPhotoChem Grant Agreement 862453 and Solar2Chem grant agreement 861151), The Spanish Ministry of Science and Innovation (Severo Ochoa CEX2021-1230-S financed by MCIN/AEI/10.13039/501100011033, PDI2021-126071-OB-C21 financed by MCIN/AEI/10.13039/501100011033 and by FEDER "Una manera de hacer Europa", and PLEC2021-7831 financed by MCIN/AEI/10.13039/501100011033 and by European Union Next-Generation EU/PRTR), and Generalitat Valenciana (Prometeu 2021-038 and MFA-2022-023 financed by European Union-Next Generation EU, through the Conselleria de Innovacion, Universidades, Ciencia y Sociedad Digital) are gratefully acknowledged. J. A. thanks the Spanish Ministry of Science and Innovation for a Ramon y Cajal research associate contract (RYC2021-031006-I) financed by MCIN/AEI/10.13039/501100011033 and by European Union/Next Generation EU/PRTR). P. N. and N. L. thank the Spanish Ministry of Science and Innovation for financial support PID2021-122515OB-I00, and Severo Ochoa Grant MCIN/AEI/10.13039/501100011033 CEX2019-000925-S) and Barcelona Supercomputing Center-MareNostrum (BSC-RES) for providing generaous computational resources.ElsevierInstituto Universitario Mixto de Tecnología QuímicaDepartamento de QuímicaEscuela Técnica Superior de Ingeniería IndustrialEuropean CommissionGeneralitat ValencianaAgencia Estatal de InvestigaciónEuropean Regional Development FundMinisterio de Ciencia e InnovaciónUniversitat Politècnica de ValènciaRepositorio Institucional de la Universitat Politècnica de València Riunet20232023-09-15journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://riunet.upv.es/handle/10251/196983reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengEuropean Commission https://doi.org/10.13039/501100000780 H2020 861151Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 PID2021-126071OB-C21 APLICANDO MXENOS COMO CATALIZADORES DEFINITIVOS PARA LA PRODUCCIÓN DE COMBUSTIBLES SOLARESEuropean Commission https://doi.org/10.13039/501100000780 H2020 862453Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 CEX2021-001230-S CENTRO DE EXCELENCIA SEVERO OCHO INSTITUTO DE TECNOLOGIA QUIMICA (ITQ)Generalitat Valenciana https://doi.org/10.13039/501100003359 PROMETEO%2F2021%2F038Generalitat Valenciana https://doi.org/10.13039/501100003359 MFA-2022-023Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 CEX2019-000925-SMinisterio de Ciencia e Innovación http://dx.doi.org/10.13039/501100004837 PLEC2021-7831Ministerio de Ciencia e Innovación http://dx.doi.org/10.13039/501100004837 RYC2021-031006-IMinisterio de Ciencia e Innovación http://dx.doi.org/10.13039/501100004837 PID2021-122515OB-I00open accesshttp://purl.org/coar/access_right/c_abf2Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) http://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:riunet.upv.es:10251/1969832026-06-13T07:49:27Z
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