Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping

Autores
Hojamberdiev, Mirabbos; Vargas Balda, Ronald Eduardo; Madriz Ruiz, Lorean Mercedes; Nematov, Dilshod; Shaislamov, Ulugbek; Wagata, Hajime; Kubota, Yuta; Yubuta, Kunio; Teshima, Katsuya; Matsushita, Nobuhiro
Año de publicación
2026
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The application of β-TaON for solar-driven water splitting is hindered by limitations in phase purity, stoichiometry, crystallinity, visible-light absorption, carrier mobility, and high recombination rates. This study investigates the impact of vanadium doping (0-25 at.% V) on the structural, optoelectronic, and photoelectrochemical properties of β-TaON using both experimental and density functional theory (DFT) approaches. Phase-pure β-TaON is retained up to 10 at.% V, beyond which secondary phases (Ta2O5 and VN) form, indicating a threshold of ∼10 at.% under the applied synthesis conditions. All samples exhibit a porous microstructure. Increasing vanadium content induces a redshift in the absorption edge, reducing the bandgap from 2.72 eV (undoped) to 2.38 eV at 25 at.% V for the main β-TaON phase, in agreement with DFT results. X-ray photoelectron spectroscopy confirms substitutional incorporation of V5+ for Ta5+ in the β-TaON lattice. DFT calculations reveal reduced electron effective mass, enhanced n-type conductivity, and favorable band edge shifts enabling spontaneous overall water splitting at ≤10 at.% V. Photoelectrochemical measurements show improved photocurrent and more negative onset potentials for 5–10 at.% V, while higher V doping degrades performance due to phase segregation, which likely increases recombination and hinders interfacial charge transport. Vanadium doping (≤10 at.% V) is an effective strategy for tuning the electronic structure and enhancing the optical properties and photoelectrochemical performance of β-TaON.
Fil: Hojamberdiev, Mirabbos. University Of Southern Denmark; Dinamarca. Institute Of Science Tokyo; Japón
Fil: Vargas Balda, Ronald Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); Argentina. University Of Southern Denmark; Dinamarca
Fil: Madriz Ruiz, Lorean Mercedes. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); Argentina
Fil: Nematov, Dilshod. National Academy Of Sciences Of Tajikistan; Tayikistán. Chongqing University of Posts and Telecommunications; China
Fil: Shaislamov, Ulugbek. National University of Uzbekistan; Uzbekistán
Fil: Wagata, Hajime. Meiji University; Japón
Fil: Kubota, Yuta. Institute Of Science Tokyo; Japón
Fil: Yubuta, Kunio. Shinshu University; Japón
Fil: Teshima, Katsuya. Shinshu University; Japón
Fil: Matsushita, Nobuhiro. Institute Of Science Tokyo; Japón
Materia
β-TaON
Vanadium Doping
Optoelectronic Properties
Photoelectrochemistry
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/288730
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/288730
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium DopingHojamberdiev, MirabbosVargas Balda, Ronald EduardoMadriz Ruiz, Lorean MercedesNematov, DilshodShaislamov, UlugbekWagata, HajimeKubota, YutaYubuta, KunioTeshima, KatsuyaMatsushita, Nobuhiroβ-TaONVanadium DopingOptoelectronic PropertiesPhotoelectrochemistryhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The application of β-TaON for solar-driven water splitting is hindered by limitations in phase purity, stoichiometry, crystallinity, visible-light absorption, carrier mobility, and high recombination rates. This study investigates the impact of vanadium doping (0-25 at.% V) on the structural, optoelectronic, and photoelectrochemical properties of β-TaON using both experimental and density functional theory (DFT) approaches. Phase-pure β-TaON is retained up to 10 at.% V, beyond which secondary phases (Ta2O5 and VN) form, indicating a threshold of ∼10 at.% under the applied synthesis conditions. All samples exhibit a porous microstructure. Increasing vanadium content induces a redshift in the absorption edge, reducing the bandgap from 2.72 eV (undoped) to 2.38 eV at 25 at.% V for the main β-TaON phase, in agreement with DFT results. X-ray photoelectron spectroscopy confirms substitutional incorporation of V5+ for Ta5+ in the β-TaON lattice. DFT calculations reveal reduced electron effective mass, enhanced n-type conductivity, and favorable band edge shifts enabling spontaneous overall water splitting at ≤10 at.% V. Photoelectrochemical measurements show improved photocurrent and more negative onset potentials for 5–10 at.% V, while higher V doping degrades performance due to phase segregation, which likely increases recombination and hinders interfacial charge transport. Vanadium doping (≤10 at.% V) is an effective strategy for tuning the electronic structure and enhancing the optical properties and photoelectrochemical performance of β-TaON.Fil: Hojamberdiev, Mirabbos. University Of Southern Denmark; Dinamarca. Institute Of Science Tokyo; JapónFil: Vargas Balda, Ronald Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); Argentina. University Of Southern Denmark; DinamarcaFil: Madriz Ruiz, Lorean Mercedes. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); ArgentinaFil: Nematov, Dilshod. National Academy Of Sciences Of Tajikistan; Tayikistán. Chongqing University of Posts and Telecommunications; ChinaFil: Shaislamov, Ulugbek. National University of Uzbekistan; UzbekistánFil: Wagata, Hajime. Meiji University; JapónFil: Kubota, Yuta. Institute Of Science Tokyo; JapónFil: Yubuta, Kunio. Shinshu University; JapónFil: Teshima, Katsuya. Shinshu University; JapónFil: Matsushita, Nobuhiro. Institute Of Science Tokyo; JapónWiley VCH Verlag2026-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/288730Hojamberdiev, Mirabbos; Vargas Balda, Ronald Eduardo; Madriz Ruiz, Lorean Mercedes; Nematov, Dilshod; Shaislamov, Ulugbek; et al.; Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping; Wiley VCH Verlag; Small; 22; 21; 2-2026; 1-141613-6810CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/10.1002/smll.202510276info:eu-repo/semantics/altIdentifier/doi/10.1002/smll.202510276info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-08-25T14:35:50Zoai:ri.conicet.gov.ar:11336/288730instacron: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:34982026-08-25 14:35:50.753CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
title Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
spellingShingle Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
Hojamberdiev, Mirabbos
β-TaON
Vanadium Doping
Optoelectronic Properties
Photoelectrochemistry
title_short Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
title_full Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
title_fullStr Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
title_full_unstemmed Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
title_sort Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping
dc.creator.none.fl_str_mv Hojamberdiev, Mirabbos
Vargas Balda, Ronald Eduardo
Madriz Ruiz, Lorean Mercedes
Nematov, Dilshod
Shaislamov, Ulugbek
Wagata, Hajime
Kubota, Yuta
Yubuta, Kunio
Teshima, Katsuya
Matsushita, Nobuhiro
author Hojamberdiev, Mirabbos
author_facet Hojamberdiev, Mirabbos
Vargas Balda, Ronald Eduardo
Madriz Ruiz, Lorean Mercedes
Nematov, Dilshod
Shaislamov, Ulugbek
Wagata, Hajime
Kubota, Yuta
Yubuta, Kunio
Teshima, Katsuya
Matsushita, Nobuhiro
author_role author
author2 Vargas Balda, Ronald Eduardo
Madriz Ruiz, Lorean Mercedes
Nematov, Dilshod
Shaislamov, Ulugbek
Wagata, Hajime
Kubota, Yuta
Yubuta, Kunio
Teshima, Katsuya
Matsushita, Nobuhiro
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv β-TaON
Vanadium Doping
Optoelectronic Properties
Photoelectrochemistry
topic β-TaON
Vanadium Doping
Optoelectronic Properties
Photoelectrochemistry
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The application of β-TaON for solar-driven water splitting is hindered by limitations in phase purity, stoichiometry, crystallinity, visible-light absorption, carrier mobility, and high recombination rates. This study investigates the impact of vanadium doping (0-25 at.% V) on the structural, optoelectronic, and photoelectrochemical properties of β-TaON using both experimental and density functional theory (DFT) approaches. Phase-pure β-TaON is retained up to 10 at.% V, beyond which secondary phases (Ta2O5 and VN) form, indicating a threshold of ∼10 at.% under the applied synthesis conditions. All samples exhibit a porous microstructure. Increasing vanadium content induces a redshift in the absorption edge, reducing the bandgap from 2.72 eV (undoped) to 2.38 eV at 25 at.% V for the main β-TaON phase, in agreement with DFT results. X-ray photoelectron spectroscopy confirms substitutional incorporation of V5+ for Ta5+ in the β-TaON lattice. DFT calculations reveal reduced electron effective mass, enhanced n-type conductivity, and favorable band edge shifts enabling spontaneous overall water splitting at ≤10 at.% V. Photoelectrochemical measurements show improved photocurrent and more negative onset potentials for 5–10 at.% V, while higher V doping degrades performance due to phase segregation, which likely increases recombination and hinders interfacial charge transport. Vanadium doping (≤10 at.% V) is an effective strategy for tuning the electronic structure and enhancing the optical properties and photoelectrochemical performance of β-TaON.
Fil: Hojamberdiev, Mirabbos. University Of Southern Denmark; Dinamarca. Institute Of Science Tokyo; Japón
Fil: Vargas Balda, Ronald Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); Argentina. University Of Southern Denmark; Dinamarca
Fil: Madriz Ruiz, Lorean Mercedes. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); Argentina
Fil: Nematov, Dilshod. National Academy Of Sciences Of Tajikistan; Tayikistán. Chongqing University of Posts and Telecommunications; China
Fil: Shaislamov, Ulugbek. National University of Uzbekistan; Uzbekistán
Fil: Wagata, Hajime. Meiji University; Japón
Fil: Kubota, Yuta. Institute Of Science Tokyo; Japón
Fil: Yubuta, Kunio. Shinshu University; Japón
Fil: Teshima, Katsuya. Shinshu University; Japón
Fil: Matsushita, Nobuhiro. Institute Of Science Tokyo; Japón
description The application of β-TaON for solar-driven water splitting is hindered by limitations in phase purity, stoichiometry, crystallinity, visible-light absorption, carrier mobility, and high recombination rates. This study investigates the impact of vanadium doping (0-25 at.% V) on the structural, optoelectronic, and photoelectrochemical properties of β-TaON using both experimental and density functional theory (DFT) approaches. Phase-pure β-TaON is retained up to 10 at.% V, beyond which secondary phases (Ta2O5 and VN) form, indicating a threshold of ∼10 at.% under the applied synthesis conditions. All samples exhibit a porous microstructure. Increasing vanadium content induces a redshift in the absorption edge, reducing the bandgap from 2.72 eV (undoped) to 2.38 eV at 25 at.% V for the main β-TaON phase, in agreement with DFT results. X-ray photoelectron spectroscopy confirms substitutional incorporation of V5+ for Ta5+ in the β-TaON lattice. DFT calculations reveal reduced electron effective mass, enhanced n-type conductivity, and favorable band edge shifts enabling spontaneous overall water splitting at ≤10 at.% V. Photoelectrochemical measurements show improved photocurrent and more negative onset potentials for 5–10 at.% V, while higher V doping degrades performance due to phase segregation, which likely increases recombination and hinders interfacial charge transport. Vanadium doping (≤10 at.% V) is an effective strategy for tuning the electronic structure and enhancing the optical properties and photoelectrochemical performance of β-TaON.
publishDate 2026
dc.date.none.fl_str_mv 2026-02
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/11336/288730
Hojamberdiev, Mirabbos; Vargas Balda, Ronald Eduardo; Madriz Ruiz, Lorean Mercedes; Nematov, Dilshod; Shaislamov, Ulugbek; et al.; Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping; Wiley VCH Verlag; Small; 22; 21; 2-2026; 1-14
1613-6810
CONICET Digital
CONICET
url http://hdl.handle.net/11336/288730
identifier_str_mv Hojamberdiev, Mirabbos; Vargas Balda, Ronald Eduardo; Madriz Ruiz, Lorean Mercedes; Nematov, Dilshod; Shaislamov, Ulugbek; et al.; Tuning Optoelectronic Properties and Photoelectrochemical Performance of β‐TaON via Vanadium Doping; Wiley VCH Verlag; Small; 22; 21; 2-2026; 1-14
1613-6810
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/10.1002/smll.202510276
info:eu-repo/semantics/altIdentifier/doi/10.1002/smll.202510276
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
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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score 13.24418

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