Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis

[EN] Herein, we propose a successful technique to produce delafossite materials that can be applied as Hole Transport Layer (HTL) in inorganic lead halide Perovskite solar cells (PSCs). The delafossite CuMO2, where M = Al, Ga, Fe, Cr, Ni, Co, Cr types were investigated the M cation effect on the cry...

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Detalles Bibliográficos
Autores: Bouich, Amal|||0000-0001-6745-8831, Marí, B.|||0000-0003-0001-419X, Cerutti Torres, Joeluis, Chfii, Hasnae, Marí-Guaita, Julia, Khattak, Yousaf Hameed, Baig, Faisal, Palacios, Pablo
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:10251/209789
Acceso en línea:https://riunet.upv.es/handle/10251/209789
Access Level:acceso abierto
Palabra clave:Delafossite
HTL
PSCs
Morphology
Optical properties
Perovskite
Solar cells
DFT
HSE06
FISICA APLICADA
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network_name_str España
repository_id_str
spelling Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysisBouich, Amal|||0000-0001-6745-8831Marí, B.|||0000-0003-0001-419XCerutti Torres, JoeluisChfii, HasnaeMarí-Guaita, JuliaKhattak, Yousaf HameedBaig, FaisalPalacios, PabloDelafossiteHTLPSCsMorphologyOptical propertiesPerovskiteSolar cellsDFTHSE06FISICA APLICADA[EN] Herein, we propose a successful technique to produce delafossite materials that can be applied as Hole Transport Layer (HTL) in inorganic lead halide Perovskite solar cells (PSCs). The delafossite CuMO2, where M = Al, Ga, Fe, Cr, Ni, Co, Cr types were investigated the M cation effect on the crystal structure, morphology, and optical properties. These properties were investigated using X-ray, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV visible spectroscopy. The XRD results confirmed their hexagonal and rhombohedral-like structure, where the SEM image of CuMO2 shows the good formation of delafossite layers. The optical band gap of CuMO2 varies from 2.2 eV to 2.99 eV, which is well in line with the literature. Similarly, we also perform the density functional theory (DFT) calculations for delafossite layers to find their electronic properties of them. Based on experimental and DFT calculations, we performed the numerical analysis in SCAPS-1D software on standard solar cell structure (Spiro -OMeTAD/MAPbI3/TiO2) and replaced Spiro -OMeTAD with all the deposited delafossite layers. Our numerical analysis found that HTL shows the highest power conversion efficiency (PCE%) of 22.90. The proposed work can give a good direction for manufacturing to improve the performance of Perovskite-based solar cells (PSCs).This work has been funded by the Ministerio de Ciencia e Innovacion (Spain) and by the Spanish Agencia Estatal de Investigacion through projects BESTMAT PID2019-107137RB-C21/AEI/10.13039/5011000 11033 and PID2019-107137RB-C22/AEI/10.13039/501100011033 and by ERDF under the funding "A way of making Europe". The author Amal Bouich acknowledges MCIN for funding support through Marga-rita Salas Fellowship (MCIN/AEI/10.13039/501100011033).ElsevierDepartamento de Física AplicadaEscuela Técnica Superior de Ingeniería Aeroespacial y Diseño IndustrialInstituto de Diseño para la Fabricación y Producción AutomatizadaGENERALITAT VALENCIANAAGENCIA ESTATAL DE INVESTIGACIONAgencia Estatal de InvestigaciónEuropean Regional Development FundUNIVERSIDAD POLITECNICA DE VALENCIARepositorio Institucional de la Universitat Politècnica de València Riunet20232023-01-15journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfapplication/pdfhttps://riunet.upv.es/handle/10251/209789reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-107137RB-C21 MEJORANDO LA PRODUCCION DE ENERGIA SOLAR CON PEROVSKITAS INORGANICAS.SINTESISAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-107137RB-C22 MEJORANDO LA PRODUCCION DE ENERGIA SOLAR CON MATERIALES SEMICONDUCTORES BASADOS EN PEROVSKITAS INORGANICAS-CALCULOS CUANTICOSUniversitat Politècnica de València https://doi.org/10.13039/501100004233 MS%2F27 AYUDA MARGARITA SALAS DE BOUICH, AMALGeneralitat Valenciana https://doi.org/10.13039/501100003359 AGPIDI%2F2022%2F46%2F009 IMPRESION DE CELULAS SOLARES DE PEROVSKITAS PARA GENERACION DE ENERGIA VERDEopen 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:10251/2097892026-06-13T07:49:27Z
dc.title.none.fl_str_mv Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
title Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
spellingShingle Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
Bouich, Amal|||0000-0001-6745-8831
Delafossite
HTL
PSCs
Morphology
Optical properties
Perovskite
Solar cells
DFT
HSE06
FISICA APLICADA
title_short Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
title_full Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
title_fullStr Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
title_full_unstemmed Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
title_sort Delafossite as hole transport layer a new pathway for efficient perovskite-based solar sells: Insight from experimental, DFT and numerical analysis
dc.creator.none.fl_str_mv Bouich, Amal|||0000-0001-6745-8831
Marí, B.|||0000-0003-0001-419X
Cerutti Torres, Joeluis
Chfii, Hasnae
Marí-Guaita, Julia
Khattak, Yousaf Hameed
Baig, Faisal
Palacios, Pablo
author Bouich, Amal|||0000-0001-6745-8831
author_facet Bouich, Amal|||0000-0001-6745-8831
Marí, B.|||0000-0003-0001-419X
Cerutti Torres, Joeluis
Chfii, Hasnae
Marí-Guaita, Julia
Khattak, Yousaf Hameed
Baig, Faisal
Palacios, Pablo
author_role author
author2 Marí, B.|||0000-0003-0001-419X
Cerutti Torres, Joeluis
Chfii, Hasnae
Marí-Guaita, Julia
Khattak, Yousaf Hameed
Baig, Faisal
Palacios, Pablo
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Física Aplicada
Escuela Técnica Superior de Ingeniería Aeroespacial y Diseño Industrial
Instituto de Diseño para la Fabricación y Producción Automatizada
GENERALITAT VALENCIANA
AGENCIA ESTATAL DE INVESTIGACION
Agencia Estatal de Investigación
European Regional Development Fund
UNIVERSIDAD POLITECNICA DE VALENCIA
Repositorio Institucional de la Universitat Politècnica de València Riunet
dc.subject.none.fl_str_mv Delafossite
HTL
PSCs
Morphology
Optical properties
Perovskite
Solar cells
DFT
HSE06
FISICA APLICADA
topic Delafossite
HTL
PSCs
Morphology
Optical properties
Perovskite
Solar cells
DFT
HSE06
FISICA APLICADA
description [EN] Herein, we propose a successful technique to produce delafossite materials that can be applied as Hole Transport Layer (HTL) in inorganic lead halide Perovskite solar cells (PSCs). The delafossite CuMO2, where M = Al, Ga, Fe, Cr, Ni, Co, Cr types were investigated the M cation effect on the crystal structure, morphology, and optical properties. These properties were investigated using X-ray, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV visible spectroscopy. The XRD results confirmed their hexagonal and rhombohedral-like structure, where the SEM image of CuMO2 shows the good formation of delafossite layers. The optical band gap of CuMO2 varies from 2.2 eV to 2.99 eV, which is well in line with the literature. Similarly, we also perform the density functional theory (DFT) calculations for delafossite layers to find their electronic properties of them. Based on experimental and DFT calculations, we performed the numerical analysis in SCAPS-1D software on standard solar cell structure (Spiro -OMeTAD/MAPbI3/TiO2) and replaced Spiro -OMeTAD with all the deposited delafossite layers. Our numerical analysis found that HTL shows the highest power conversion efficiency (PCE%) of 22.90. The proposed work can give a good direction for manufacturing to improve the performance of Perovskite-based solar cells (PSCs).
publishDate 2023
dc.date.none.fl_str_mv 2023
2023-01-15
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/10251/209789
url https://riunet.upv.es/handle/10251/209789
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-107137RB-C21 MEJORANDO LA PRODUCCION DE ENERGIA SOLAR CON PEROVSKITAS INORGANICAS.SINTESIS
Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-107137RB-C22 MEJORANDO LA PRODUCCION DE ENERGIA SOLAR CON MATERIALES SEMICONDUCTORES BASADOS EN PEROVSKITAS INORGANICAS-CALCULOS CUANTICOS
Universitat Politècnica de València https://doi.org/10.13039/501100004233 MS%2F27 AYUDA MARGARITA SALAS DE BOUICH, AMAL
Generalitat Valenciana https://doi.org/10.13039/501100003359 AGPIDI%2F2022%2F46%2F009 IMPRESION DE CELULAS SOLARES DE PEROVSKITAS PARA GENERACION DE ENERGIA VERDE
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
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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score 15,198674

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