N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation

Autores
Carnelli, Patricio Francisco Florencio; Bracco, Estefania Belen; Alfano, Orlando Mario; Candal, Roberto Jorge
Año de publicación
2025
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Nitrogen-modified titanium dioxide (N-TiO2) is proposed as an alternative to improve solar light absorption in photocatalytic applications. Due to its high chemical stability and low toxicity, various synthesis methods have been developed, yielding materials with different properties. Evaluating its performance compared to other photocatalysts requires calculating the quantum efficiency, which involves appropriate mathematical models to interpret experimental data. This study used a Monte Carlo approach to determine the local volumetric rate of photon absorption (LVRPA). TiO2 and N-TiO2 were synthesized via the sol-gel method using urea as the nitrogen source, and commercial TiO2 P-25 was used as a reference. Formic acid and salicylic acid were chosen as model pollutants due to their differing adsorption behavior on TiO2. Three light sources were used: UVA, white, and blue light. Nitrogen doping increased quantum efficiency for formic acid degradation under UVA from 2.4 to 3.5 (46% increase) and salicylic acid from 1.0 to 2.1 (110% increase). P-25 showed the highest efficiencies under UVA, with 6.2 for formic acid and 5.2 for salicylic acid. Under white light, salicylic acid degradation efficiency doubled from 0.4 to 0.8 after nitrogen doping. No activity was observed for formic acid with undoped TiO2 under white light, but N-TiO2 achieved 1.1. Under blue light, no activity was detected for formic acid, while salicylic acid degradation showed efficiencies of 0.3 (N-TiO2) and 0.2 (P-25). Quantum efficiency was highest under UVA, indicating that nitrogen doping improves visible light response but does not surpass UVA performance.
Fil: Carnelli, Patricio Francisco Florencio. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina. YPF - Tecnología; Argentina
Fil: Bracco, Estefania Belen. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina
Fil: Alfano, Orlando Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Candal, Roberto Jorge. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina
Materia
N-TiO2
Photocatalysis
Quantum efficiency
Photonic efficiency
Monte Carlo simulation
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:11336/276981
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/276981
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo SimulationCarnelli, Patricio Francisco FlorencioBracco, Estefania BelenAlfano, Orlando MarioCandal, Roberto JorgeN-TiO2PhotocatalysisQuantum efficiencyPhotonic efficiencyMonte Carlo simulationhttps://purl.org/becyt/ford/1.5https://purl.org/becyt/ford/1Nitrogen-modified titanium dioxide (N-TiO2) is proposed as an alternative to improve solar light absorption in photocatalytic applications. Due to its high chemical stability and low toxicity, various synthesis methods have been developed, yielding materials with different properties. Evaluating its performance compared to other photocatalysts requires calculating the quantum efficiency, which involves appropriate mathematical models to interpret experimental data. This study used a Monte Carlo approach to determine the local volumetric rate of photon absorption (LVRPA). TiO2 and N-TiO2 were synthesized via the sol-gel method using urea as the nitrogen source, and commercial TiO2 P-25 was used as a reference. Formic acid and salicylic acid were chosen as model pollutants due to their differing adsorption behavior on TiO2. Three light sources were used: UVA, white, and blue light. Nitrogen doping increased quantum efficiency for formic acid degradation under UVA from 2.4 to 3.5 (46% increase) and salicylic acid from 1.0 to 2.1 (110% increase). P-25 showed the highest efficiencies under UVA, with 6.2 for formic acid and 5.2 for salicylic acid. Under white light, salicylic acid degradation efficiency doubled from 0.4 to 0.8 after nitrogen doping. No activity was observed for formic acid with undoped TiO2 under white light, but N-TiO2 achieved 1.1. Under blue light, no activity was detected for formic acid, while salicylic acid degradation showed efficiencies of 0.3 (N-TiO2) and 0.2 (P-25). Quantum efficiency was highest under UVA, indicating that nitrogen doping improves visible light response but does not surpass UVA performance.Fil: Carnelli, Patricio Francisco Florencio. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina. YPF - Tecnología; ArgentinaFil: Bracco, Estefania Belen. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; ArgentinaFil: Alfano, Orlando Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Candal, Roberto Jorge. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; ArgentinaSCIEPublish2025-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/276981Carnelli, Patricio Francisco Florencio; Bracco, Estefania Belen; Alfano, Orlando Mario; Candal, Roberto Jorge; N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation; SCIEPublish; Photocatalysis; 2; 4; 10-2025; 10019-100192958-8782CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciepublish.com/article/pii/727info:eu-repo/semantics/altIdentifier/doi/10.70322/prp.2025.10019info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T13:55:13Zoai:ri.conicet.gov.ar:11336/276981instacron: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:34982025-12-23 13:55:13.333CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
title N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
spellingShingle N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
Carnelli, Patricio Francisco Florencio
N-TiO2
Photocatalysis
Quantum efficiency
Photonic efficiency
Monte Carlo simulation
title_short N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
title_full N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
title_fullStr N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
title_full_unstemmed N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
title_sort N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation
dc.creator.none.fl_str_mv Carnelli, Patricio Francisco Florencio
Bracco, Estefania Belen
Alfano, Orlando Mario
Candal, Roberto Jorge
author Carnelli, Patricio Francisco Florencio
author_facet Carnelli, Patricio Francisco Florencio
Bracco, Estefania Belen
Alfano, Orlando Mario
Candal, Roberto Jorge
author_role author
author2 Bracco, Estefania Belen
Alfano, Orlando Mario
Candal, Roberto Jorge
author2_role author
author
author
dc.subject.none.fl_str_mv N-TiO2
Photocatalysis
Quantum efficiency
Photonic efficiency
Monte Carlo simulation
topic N-TiO2
Photocatalysis
Quantum efficiency
Photonic efficiency
Monte Carlo simulation
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.5
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Nitrogen-modified titanium dioxide (N-TiO2) is proposed as an alternative to improve solar light absorption in photocatalytic applications. Due to its high chemical stability and low toxicity, various synthesis methods have been developed, yielding materials with different properties. Evaluating its performance compared to other photocatalysts requires calculating the quantum efficiency, which involves appropriate mathematical models to interpret experimental data. This study used a Monte Carlo approach to determine the local volumetric rate of photon absorption (LVRPA). TiO2 and N-TiO2 were synthesized via the sol-gel method using urea as the nitrogen source, and commercial TiO2 P-25 was used as a reference. Formic acid and salicylic acid were chosen as model pollutants due to their differing adsorption behavior on TiO2. Three light sources were used: UVA, white, and blue light. Nitrogen doping increased quantum efficiency for formic acid degradation under UVA from 2.4 to 3.5 (46% increase) and salicylic acid from 1.0 to 2.1 (110% increase). P-25 showed the highest efficiencies under UVA, with 6.2 for formic acid and 5.2 for salicylic acid. Under white light, salicylic acid degradation efficiency doubled from 0.4 to 0.8 after nitrogen doping. No activity was observed for formic acid with undoped TiO2 under white light, but N-TiO2 achieved 1.1. Under blue light, no activity was detected for formic acid, while salicylic acid degradation showed efficiencies of 0.3 (N-TiO2) and 0.2 (P-25). Quantum efficiency was highest under UVA, indicating that nitrogen doping improves visible light response but does not surpass UVA performance.
Fil: Carnelli, Patricio Francisco Florencio. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina. YPF - Tecnología; Argentina
Fil: Bracco, Estefania Belen. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina
Fil: Alfano, Orlando Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Candal, Roberto Jorge. Universidad Nacional de San Martín. Instituto de Investigación e Ingeniería Ambiental. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigación e Ingeniería Ambiental; Argentina
description Nitrogen-modified titanium dioxide (N-TiO2) is proposed as an alternative to improve solar light absorption in photocatalytic applications. Due to its high chemical stability and low toxicity, various synthesis methods have been developed, yielding materials with different properties. Evaluating its performance compared to other photocatalysts requires calculating the quantum efficiency, which involves appropriate mathematical models to interpret experimental data. This study used a Monte Carlo approach to determine the local volumetric rate of photon absorption (LVRPA). TiO2 and N-TiO2 were synthesized via the sol-gel method using urea as the nitrogen source, and commercial TiO2 P-25 was used as a reference. Formic acid and salicylic acid were chosen as model pollutants due to their differing adsorption behavior on TiO2. Three light sources were used: UVA, white, and blue light. Nitrogen doping increased quantum efficiency for formic acid degradation under UVA from 2.4 to 3.5 (46% increase) and salicylic acid from 1.0 to 2.1 (110% increase). P-25 showed the highest efficiencies under UVA, with 6.2 for formic acid and 5.2 for salicylic acid. Under white light, salicylic acid degradation efficiency doubled from 0.4 to 0.8 after nitrogen doping. No activity was observed for formic acid with undoped TiO2 under white light, but N-TiO2 achieved 1.1. Under blue light, no activity was detected for formic acid, while salicylic acid degradation showed efficiencies of 0.3 (N-TiO2) and 0.2 (P-25). Quantum efficiency was highest under UVA, indicating that nitrogen doping improves visible light response but does not surpass UVA performance.
publishDate 2025
dc.date.none.fl_str_mv 2025-10
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/11336/276981
Carnelli, Patricio Francisco Florencio; Bracco, Estefania Belen; Alfano, Orlando Mario; Candal, Roberto Jorge; N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation; SCIEPublish; Photocatalysis; 2; 4; 10-2025; 10019-10019
2958-8782
CONICET Digital
CONICET
url http://hdl.handle.net/11336/276981
identifier_str_mv Carnelli, Patricio Francisco Florencio; Bracco, Estefania Belen; Alfano, Orlando Mario; Candal, Roberto Jorge; N-TiO2 Photonic and Quantum Photocatalytic Efficiency Determined by Monte Carlo Simulation; SCIEPublish; Photocatalysis; 2; 4; 10-2025; 10019-10019
2958-8782
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://www.sciepublish.com/article/pii/727
info:eu-repo/semantics/altIdentifier/doi/10.70322/prp.2025.10019
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
dc.publisher.none.fl_str_mv SCIEPublish
publisher.none.fl_str_mv SCIEPublish
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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